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(2R,3S)-2-ethyl-3-methyl-1-cyclohexanone
SpectraBase Compound ID 9mU59Y7tf5N
InChI InChI=1S/C9H16O/c1-3-8-7(2)5-4-6-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey HTQHLWXFLJBAPR-JGVFFNPUSA-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 D0yfydNaYY0
Name (2R,3S)-2-ethyl-3-methyl-1-cyclohexanone
CAS Registry Number 75731-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-3-8-7(2)5-4-6-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey HTQHLWXFLJBAPR-JGVFFNPUSA-N
Molecular Weight 140.226 g/mol
SMILES C1([C@@]([C@@](C)(CCC1)[H])(CC)[H])=O
SPLASH splash10-0002-9200000000-0c5e5d1a1f10d856ca81
Source of Spectrum J-46-127-0
Synonyms (2R,3S)-2-ethyl-3-methyl-cyclohexan-1-one (2R,3S)-2-ethyl-3-methyl-cyclohexanone Cyclohexanone, 2-ethyl-3-methyl-, trans-
Wiley ID 1139685