SpectraBase Spectrum ID |
8FOFPQasY5o |
Name |
1,3-Propanediol dibenzoate |
CAS Registry Number |
2451-86-7 |
Classification |
Chemical |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
284.104858991 u |
Formula |
C17H16O4 |
InChI |
InChI=1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2 |
InChIKey |
SSEOOCRUUJYCKA-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
284.311 g/mol |
Nominal Mass |
284 u |
Quality |
941 |
Retention Index |
2098 |
SMILES |
C=1(C(OCCCOC(C2=CC=CC=C2)=O)=O)C=CC=CC1 |
SPLASH |
splash10-0a4i-5900000000-4162c10538151f70377a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,3-(Benzoyloxy)propane
3-(benzoyloxy)propyl benzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_021662 |