| SpectraBase Spectrum ID |
JEzabZhGt0K |
| Name |
3-Methylbenzoic acid methyl ester |
| CAS Registry Number |
99-36-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3 |
| InChIKey |
CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
990 |
| Retention Index |
1212 |
| SMILES |
C=1(C(OC)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014i-8900000000-cfbf7185a74fce37a8a5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
m-Toluic acid methyl ester
Methyl 3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022433 |
