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2-Cyclohexen-1-one
SpectraBase Compound ID CBldoZuq4ea
InChI InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2/i7+2
InChIKey FWFSEYBSWVRWGL-WGGUOBTBSA-N
Mol Weight 98.13 g/mol
Molecular Formula C6H818O
Exact Mass 98.06176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdiLWB8ZUBY
Name 2-Cyclohexen-1-one
Comments Original formula: C6H8[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O
InChI InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2/i7+2
InChIKey FWFSEYBSWVRWGL-WGGUOBTBSA-N
Instrument Name Shimadzu GC-2010 plus or Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202100576
Molecular Weight 98.129 g/mol
SMILES C1C(C=CCC1)=[18O]
SPLASH splash10-00dm-9000000000-c07344c8f2d446e615a5
Source of Spectrum CJC-40-SM13-Figure S12-b2
Wiley ID 1871816