| SpectraBase Spectrum ID |
JHeYYX6O5GC |
| Name |
4-Methoxy-benzoic acid propyl ester |
| CAS Registry Number |
81760-48-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); 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/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3 |
| InChIKey |
WEHMFTWWOGBHCR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.230 g/mol |
| Nominal Mass |
194 u |
| Quality |
988 |
| Retention Index |
1551 |
| SMILES |
C=1(C(OCCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0f79-3900000000-aa7d3ad3fc3763be65ff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methoxy-,propyl ester
p-Anisic acid propyl ester
propyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032571 |
