| SpectraBase Spectrum ID |
5Vtt3hVVKK0 |
| Name |
Isobutyl benzoate |
| CAS Registry Number |
136-60-7 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey |
KYZHGEFMXZOSJN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
991 |
| Retention Index |
1283 |
| SMILES |
C=1(C(OCC(C)C)=O)C=CC=CC1 |
| SPLASH |
splash10-0adi-7900000000-0f41c51d0e315393d8da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpropyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034117 |
