SpectraBase Spectrum ID |
DkKpK1mPA5A |
Name |
3-Methoxy-benzoic acid isopropyl ester |
CAS Registry Number |
183897-90-7 |
Classification |
Pharmaceutical drug precursor |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
194.094294308 u |
Formula |
C11H14O3 |
InChI |
InChI=1S/C11H14O3/c1-8(2)14-11(12)9-5-4-6-10(7-9)13-3/h4-8H,1-3H3 |
InChIKey |
CQEYWEHHTUHLEE-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
194.230 g/mol |
Nominal Mass |
194 u |
Quality |
999 |
Retention Index |
1446 |
SMILES |
C=1(C(OC(C)C)=O)C=C(C=CC1)OC |
SPLASH |
splash10-0f7c-4900000000-517d7efdafeea37715bd |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Isopropyl m-methoxybenzoate
m-Anisic acid isoproptyl ester
propan-2-yl 3-methoxybenzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_022277 |