| SpectraBase Spectrum ID |
GW76DEDKEnw |
| Name |
Methyl benzoate |
| CAS Registry Number |
93-58-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| InChI |
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey |
QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Quality |
974 |
| Retention Index |
1070 |
| SMILES |
C=1(C(OC)=O)C=CC=CC1 |
| SPLASH |
splash10-0a6r-8900000000-c9b2229d31d22e190855 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011626 |
