| SpectraBase Spectrum ID |
2lWprZ5yVyi |
| Name |
Methyl-p-toluate |
| CAS Registry Number |
99-75-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3 |
| InChIKey |
QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
986 |
| Retention Index |
1191 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014i-8900000000-4644de4864479b164f23 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methyl-,methyl ester
Methyl 4-toluate
Methyl p-toluate
Methyl 4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010316 |
