For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 20hSEkOZIu
Name 1,2-Propane diol dibenzoate
Classification Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
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
Ionization Type Electron Ionization (EI)
Molecular Weight 284.311 g/mol
SMILES CC(OC(c1ccccc1)=O)COC(=O)c1ccccc1
SPLASH splash10-0pdi-8900000000-4a345ec3d24f8c6b041a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1760