| SpectraBase Spectrum ID |
8FticJjOqjQ |
| Name |
Propan-2-yl benzoate |
| CAS Registry Number |
939-48-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
164.083729624 u |
| Formula |
C10H12O2 |
| InChI |
InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey |
FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Quality |
976 |
| Retention Index |
1183 |
| SMILES |
C1(C(OC(C)C)=O)=CC=CC=C1 |
| SPLASH |
splash10-0a4i-9700000000-798e500c16d44bfb6eac |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
propan-2-yl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034115 |
