| SpectraBase Spectrum ID |
B1MiKw5LEUS |
| Name |
Butyl 4-propylbenzoate |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13-9-7-12(6-4-2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey |
KSNCRXKXKCRVEO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
972 |
| Retention Index |
1700 |
| SMILES |
C=1(C(OCCCC)=O)C=CC(=CC1)CCC |
| SPLASH |
splash10-0292-2900000000-21381f57a9879162db5e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-propyl-,butyl ester
4-Propylbenzoic acid butylester
Butyl-4-propylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023613 |
