| SpectraBase Spectrum ID |
8JzhiyTo7F2 |
| Name |
3-Methoxy-benzoic acid hexyl ester |
| Classification |
Pharmaceutical drug precursor |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-3-4-5-6-10-17-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey |
ROTBPRMBAFUZES-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.311 g/mol |
| Nominal Mass |
236 u |
| Quality |
994 |
| Retention Index |
1815 |
| SMILES |
C=1(C(OCCCCCC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-0udr-3900000000-65137f3d77dde2f7b530 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexyl m-methoxybenzoate
m-Anisic acid hexyl ester
m-Methoxybenzoic acid,hexyl ester
Hexyl-3-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015073 |
