| SpectraBase Spectrum ID |
JI70kGhrkqe |
| Name |
4'-(2-Methylpropyl)acetophenone |
| CAS Registry Number |
38861-78-8 |
| 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 |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey |
KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
176.259 g/mol |
| Nominal Mass |
176 u |
| Quality |
856 |
| Retention Index |
1282 |
| SMILES |
C=1(C=CC(C(=O)C)=CC1)CC(C)C |
| SPLASH |
splash10-03di-3900000000-61b9a3f7ee06022d3372 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[4-(2-Methylpropyl)phenyl]ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002406 |
