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 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 |