| SpectraBase Spectrum ID |
8K7U6GW6XsO |
| Name |
4-Methoxy-benzoic acid methyl ester |
| CAS Registry Number |
121-98-2 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| InChIKey |
DDIZAANNODHTRB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Quality |
999 |
| Retention Index |
1337 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-000i-3900000000-2652588adb7c82df42f4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl p-Anisate
Methyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023779 |
