| SpectraBase Spectrum ID |
8Go6D67I6y0 |
| Name |
1-(4-Methylphenyl)hexan-1-one |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-3-4-5-6-13(14)12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3 |
| InChIKey |
OGRXDZGVASXMGD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.286 g/mol |
| Nominal Mass |
190 u |
| Quality |
992 |
| Retention Index |
1558 |
| SMILES |
C=1(C(CCCCC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014i-4900000000-72ea179f01df941aa763 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Methylphenyl)-1-hexanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002342 |
