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7-(2,3-Dihydroxypropyl)theophylline

Compound with spectra: 1 NMR, 5 FTIR, 1 Raman, and 14 MS (GC)

7-(2,3-Dihydroxypropyl)theophylline
SpectraBase Compound ID LWEC9ecvoJC
InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey KSCFJBIXMNOVSH-UHFFFAOYSA-N
Mol Weight 254.25 g/mol
Molecular Formula C10H14N4O4
Exact Mass 254.101505 g/mol

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MS (GC) Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences

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MS (GC) Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences

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MS (GC) Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 7-(2,3-Dihydroxypropyl)theophylline

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SWG-33-2788-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-2066-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-11934-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum B4-0-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-23139-0-0

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FTIR Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Cayman Chemical Company
Source of Spectrum Forensic Spectral Research
Catalog Number 17958
Technique KBr0

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique KBr WAFER

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number D119407
Technique Mull

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ATR-IR Spectrum
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Cayman Chemical Company
Source of Spectrum Forensic Spectral Research
Catalog Number 17958

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number D119407

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number D119407
  • Dyphylline
  • Diprophylline
  • Dilor
  • Lufylline
  • Neothyllin
  • NSC 14305
  • NSC 40844
  • THEOPHYLLINE, 7-/2,3-DIHYDROXY- PROPYL/-,
  • 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
  • Diphylline
  • Diphyllin
  • Dihydroxypropyl-theophyllin
  • 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione
7-(2,3-Dihydroxy-propyl)-theophyllinate cation
1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-beta-hydroxy-1,3-dimethyl-2,6-dioxo-, chloride
N-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-2-hydroxy-propyl]-formamide
7-[[1-(benzyl)-4-piperidyl]methyl]-1,3-dimethyl-xanthine
Proxyphylline FORM
7-(2,3-THIOEPOXYPROPYL)-THEOPHYLLINE
1,3-Dimethyl-7-(5H-1,2,3,4-tetrazol-5-ylmethyl)purine-2,6-dione
1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-2,4-dimethylpentan-2-ylium chloride
3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N'-propan-2-ylpropanimidamide
1H-purine-7-propanaminium, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-N-[(2E)-pyrrolidinylidene]-, chloride

This compound is available in the following databases:

Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich

Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.

KnowItAll NMR Spectral Library
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley

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KnowItAll Mass Spectral Library
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Wiley Registry of Mass Spectral Data 2023
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

VMEJANRODATDOF-UHFFFAOYSA-N
Vendor/Supplier Catalog Number
Cayman Chemical Company
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