| SpectraBase Spectrum ID |
9jXCkYfK7gc |
| Name |
Benzoic acid butyl ester |
| CAS Registry Number |
136-60-7 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey |
XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
972 |
| Retention Index |
1341 |
| SMILES |
C=1(C(OCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0ab9-5900000000-d8264071c3f46b7a46f4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoicacid,butylester
1-Butanol benzoate
1-Butyl benzoate
Butyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015273 |
