SpectraBase Spectrum ID |
Bk4GoQGxRGj |
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 |
991 |
Retention Index |
1759 |
SMILES |
C=1(C(OCCCCC)=O)C=CC(=CC1)OC |
SPLASH |
splash10-0udr-3900000000-c0cdba10435a52928f35 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Amyl anisate
n-Pentyl-4-methoxy benzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_022287 |