| SpectraBase Spectrum ID |
5WrybDaKZwe |
| Name |
4-Methoxy-benzoic acid n- pentyl ester |
| CAS Registry Number |
6938-46-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-3-4-5-10-16-13(14)11-6-8-12(15-2)9-7-11/h6-9H,3-5,10H2,1-2H3 |
| InChIKey |
DNJKWCMASVISFH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
994 |
| Retention Index |
1753 |
| SMILES |
C=1(C(OCCCCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0udr-2900000000-85ea65a318e6419d7633 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Amyl anisate
n-Pentyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015123 |
