| SpectraBase Spectrum ID |
8FUudBCYn8y |
| 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 |
894 |
| Retention Index |
2098 |
| SMILES |
C=1(C(OCCCOC(C2=CC=CC=C2)=O)=O)C=CC=CC1 |
| SPLASH |
splash10-0a4i-5900000000-83e809caa9858b3a4648 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-(Benzoyloxy)propane
3-(benzoyloxy)propyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005306 |
