SpectraBase Spectrum ID |
E19xEUd5p1j |
Name |
Butyl 3-methylbenzoate |
CAS Registry Number |
6640-77-3 |
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 |
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 |
960 |
Retention Index |
1480 |
SMILES |
C=1(C(OCCCC)=O)C=C(C=CC1)C |
SPLASH |
splash10-00ku-6900000000-bd5747095d07071fd08c |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benzoic acid,3-methyl-butyl ester
Butyl 3-methyl benzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_022447 |