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Valerophenone
SpectraBase Compound ID LDSpX16KzTn
InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIh96towts5
Name Valerophenone
Source of Sample SAFC Cat.no. W227102
CAS Registry Number 1009-14-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 162.104465070 u
Formula C11H14O
InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey XKGLSKVNOSHTAD-UHFFFAOYSA-N
Molecular Weight 162.232 g/mol
Number of Peaks 46
RI1 1356
RI2 1034
RI3 1338
RI4 1298
SMILES c1cccc(c1)C(CCCC)=O
SPLASH splash10-0a6r-4900000000-f24afb1c925ae3209130
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Pentanone, 1-phenyl-
Wiley ID LM_FFNSC3_998