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Hexanophenone
SpectraBase Compound ID 62KePU9UDZS
InChI InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey MAHPVQDVMLWUAG-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnXuYAxCjRo
Name 1-Phenylhexan-1-one
CAS Registry Number 942-92-7
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 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKey MAHPVQDVMLWUAG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.259 g/mol
Nominal Mass 176 u
Quality 957
Retention Index 1282
SMILES C=1(C(CCCCC)=O)C=CC=CC1
SPLASH splash10-0ab9-3900000000-942378b889a45644101f
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_003591