| SpectraBase Spectrum ID |
DmGyDi9Gz0y |
| Name |
Methyl-4-n-butoxy benzoate |
| CAS Registry Number |
4906-25-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
PUHCYTHGLBCWEA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Quality |
936 |
| Retention Index |
1492 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)OCCCC |
| SPLASH |
splash10-00di-2900000000-1470191d763d9fbac689 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-butyloxy-,methyl ester
Methyl 4-butoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030531 |
