| SpectraBase Spectrum ID |
2pJ4lOJIMka |
| Name |
Butyl 3-methylbenzoate |
| CAS Registry Number |
6640-77-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-3-4-8-14-12(13)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey |
KECCQYFSODJESB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
971 |
| Retention Index |
1480 |
| SMILES |
C=1(C(OCCCC)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014u-8900000000-e3f4157133a466a14fcb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methyl-butyl ester
Butyl 3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024154 |
