| SpectraBase Spectrum ID |
51UmJpFaSkl |
| Name |
Isopropyl 4-propylbenzoate |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)13(14)15-10(2)3/h6-10H,4-5H2,1-3H3 |
| InChIKey |
ULSICSNHHRVYSZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
950 |
| Retention Index |
1519 |
| SMILES |
C1(C(OC(C)C)=O)=CC=C(C=C1)CCC |
| SPLASH |
splash10-0005-5900000000-2015fbcd8907251e66ef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-propyl-,isopropyl ester
Isopropyl-4-propylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022654 |
