| SpectraBase Spectrum ID |
JFGd9Q03UCu |
| Name |
Butyl 4-methoxybenzoate |
| CAS Registry Number |
4239-68-3 |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-3-4-9-15-12(13)10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
DXKMHDQQRQRYCI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
987 |
| Retention Index |
1619 |
| SMILES |
C=1(C(OCCCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-0udr-2900000000-da1572ca1752edff7dd2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methoxy-,butyl ester
n-Butyl anisate
n-Butyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024346 |
