| SpectraBase Spectrum ID |
8IQRccWEVua |
| Name |
Heptanophenone |
| CAS Registry Number |
1671-75-6 |
| 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 © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
| InChIKey |
UXMQORVHJMUQFD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.286 g/mol |
| Nominal Mass |
190 u |
| Quality |
994 |
| Retention Index |
1540 |
| SMILES |
C=1(C(CCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0ab9-4900000000-56f922bc21888584768f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Phenylheptan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018657 |
