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1-[(1R,2R)-2-methylcyclohexyl]ethanone
SpectraBase Compound ID 1Oj3qtocLNK
InChI InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey VZELQXKHIHNPLU-VXNVDRBHSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87LPyt1lZzr
Name 1-[(1R,2R)-2-methylcyclohexyl]ethanone
CAS Registry Number 5222-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey VZELQXKHIHNPLU-VXNVDRBHSA-N
Molecular Weight 140.226 g/mol
SMILES [C@@]1(C(=O)C)([C@](C)(CCCC1)[H])[H]
SPLASH splash10-0a4l-9000000000-174d8c21c462cf4a9377
Source of Spectrum J-40-1465-0
Synonyms trans-1-(2-methylcyclohexyl)ethan-1-one EINECS 226-022-2
Wiley ID 1139703