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3,4-(Methylenedioxy)phenylacetonitrile

Compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 6 MS (GC)

3,4-(Methylenedioxy)phenylacetonitrile
SpectraBase Compound ID VFpqXOub8G
InChI InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChIKey ZQPBOYASBNAXOZ-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

View Spectrum of 3,4-(Methylenedioxy)phenylacetonitrile

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 145300
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 145300
Solvent CDCl3

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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 CAPILLARY CELL: MELT

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Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

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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

View Spectrum of 3,4-(Methylenedioxy)phenylacetonitrile

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

View Spectrum of 3,4-(Methylenedioxy)phenylacetonitrile

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-11445-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SWG-33-1408-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum ACI-62-SM52-23 (DOI: 10.1002/anie.202216160)

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-52-8617-4

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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 145300

View Spectrum of 3,4-(Methylenedioxy)phenylacetonitrile

Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 145300
  • ACETONITRILE, //3,4-METHYLENEDIOXY/PHENYL/-,
  • 3,4-Methylendioxy-benzylcyanide
  • 3,4-Methylenedioxybenzeneacetonitril
  • 2-(benzo[d][1,3]dioxol-5-yl)acetonitrile
  • 1,3-Benzodioxole-5-acetonitrile
  • Homopiperonylnitrile
3,4-Methylenedioxyphenethylamine
1-(3,4-Methylenedioxyphenyl)ethyl bromide
1,2-Methylenedioxy-4-propylbenzene
1-(3,4-Methylenedioxyphenyl)ethyl chloride
1,3-benzodioxol-5-ylmethyl-methyl-amine
MDBP-M formyl artifact
Piperonyl methyl ether
1,2-Diethoxy-4-ethylbenzene
4-O-Ethylhomovanillin
4-allyl-1-ethoxy-2-methoxybenzene

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.

Mass Spectra of Designer Drugs 2024
Author: Peter Rösner

This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.

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