| SpectraBase Spectrum ID |
DnXuYAxCjRo |
| Name |
1-Phenylhexan-1-one |
| CAS Registry Number |
942-92-7 |
| Classification |
Designer drug precursor |
| 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/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3 |
| InChIKey |
MAHPVQDVMLWUAG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
176.259 g/mol |
| Nominal Mass |
176 u |
| Quality |
957 |
| Retention Index |
1282 |
| SMILES |
C=1(C(CCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0ab9-3900000000-942378b889a45644101f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003591 |
