| SpectraBase Spectrum ID |
DF9APx3x0aa |
| Name |
Methyl 2-methylbenzoate |
| CAS Registry Number |
89-71-4 |
| 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/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3 |
| InChIKey |
WVWZECQNFWFVFW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
1000 |
| Retention Index |
1170 |
| SMILES |
C=1(C(=CC=CC1)C)C(OC)=O |
| SPLASH |
splash10-014i-7900000000-2e6bd41be57a6e6d6945 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl o-methyl benzoate
Methyl 2-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022434 |
