| SpectraBase Spectrum ID |
dOwpTDeWO |
| Name |
4-Methoxy-benzoic acid isopentyl ester |
| CAS Registry Number |
27739-29-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
FVMBSMBXEVMMGH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
880 |
| Retention Index |
1716 |
| SMILES |
C=1(C(OCCC(C)C)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0udr-7900000000-471abb445620cdd14d56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methoxybenzoic acid,3-methylbutyl ester
p-Anisicacid,isopentyl ester
Isopentyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015137 |
