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1,2-Propane diol dibenzoate

Compound with spectra: 2 NMR, 2 FTIR, and 3 MS (GC)

1,2-Propane diol dibenzoate
SpectraBase Compound ID HGk2bmQ7Yry
InChI InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey UMVMVEZHMZTUHD-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

View Spectrum of 1,2-Propane diol dibenzoate

MS (GC) Spectrum
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum RB-1982-12109-0

View Spectrum of 1,2-Propane diol dibenzoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-26-800-11

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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 369403

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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 369403
Solvent CDCl3

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FTIR 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 W341901
Technique Between salts

View Spectrum of 1,2-Propane diol dibenzoate

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 369403
Solvent CDCl3
  • 2-(Phenylcarbonyloxy)propyl benzoate
1,3-Propanediol, 2-(octadecyloxy)-, monobenzoate, (.+-.)-
1,3-Butandiol dibenzoate
YNJOWYVNEPZXTI-UHFFFAOYSA-N
1,3-Dioxolane-2-propanol, .alpha.-methyl-, benzoate
13-(Benzoyloxy)-tetradeca-2,4,8-trienal
1,2-Octanediol, 2-benzoate
1,2-Dodecanediol, 2-benzoate
1,2,3-Butanetriol, 3-methyl-, 1-benzoate, (S)-
4-(Benzoyloxy)-2,3-dihydroxybutyl benzoate
(2E,4R)-5-(Benzoyloxy)-1,1-dimethoxy-4-hydroxy-2-pentene

This compound is available in the following databases:

Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition
Author: Hans H. Maurer, Markus Meyer, Karl Pfleger, Armin A. Weber

Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.

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