| SpectraBase Spectrum ID |
DkIEN9QvzN2 |
| Name |
Pentyl benzoate |
| CAS Registry Number |
2049-96-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
| InChIKey |
QKNZNUNCDJZTCH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
990 |
| Retention Index |
1458 |
| SMILES |
C=1(C(OCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-05i0-8900000000-02f83772dee88a15667a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoicacid,pentyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034118 |
