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1-(3-Hydroxy-3-ethyl-1-oxopentyl)-1,3,5-cycloheptatriene
SpectraBase Compound ID DWvUm1HLHib
InChI InChI=1S/C14H20O2/c1-3-14(16,4-2)11-13(15)12-9-7-5-6-8-10-12/h5-9,16H,3-4,10-11H2,1-2H3
InChIKey SPAFLKWDVULWOB-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d3SFD8haAD
Name 1-(3-Hydroxy-3-ethyl-1-oxopentyl)-1,3,5-cycloheptatriene
Alternate Name(s) 1-(1,3,5-cycloheptatrien-1-yl)-3-ethyl-3-hydroxy-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-14(16,4-2)11-13(15)12-9-7-5-6-8-10-12/h5-9,16H,3-4,10-11H2,1-2H3
InChIKey SPAFLKWDVULWOB-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES OC(CC(C1=CC=CC=CC1)=O)(CC)CC
SPLASH splash10-014l-9610000000-365d553a1d11af5d2e4f
Source of Spectrum F-62-8180-11
Wiley ID 1640460