| SpectraBase Spectrum ID |
4cfK77NLxA |
| Name |
Heptanophenone |
| CAS Registry Number |
1671-75-6 |
| 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/c1-2-3-4-8-11-13(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 |
928 |
| Retention Index |
1540 |
| SMILES |
C=1(C(CCCCCC)=O)C=CC=CC1 |
| SPLASH |
splash10-05fr-3900000000-02e7e69cabb1cfb2c0b9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Phenylheptan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003590 |
