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1-Phenylheptan-1-one
SpectraBase Compound ID 6zsre23EiB5
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
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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