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Cyclohexanone, 2,3-dimethyl-, trans-
SpectraBase Compound ID GAMaQUprHss
InChI InChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey OZCVOEUWYVVVME-NKWVEPMBSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2CnzsFdLnM
Name Cyclohexanone, 2,3-dimethyl-, trans-
Alternate Name(s) 2,3-Dimethylcyclohexanone (2R,3S)-2,3-dimethyl-1-cyclohexanone (2R,3S)-2,3-dimethylcyclohexan-1-one (2R,3S)-2,3-dimethylcyclohexanone
CAS Registry Number 1551-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-6-4-3-5-8(9)7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey OZCVOEUWYVVVME-NKWVEPMBSA-N
Molecular Weight 126.199 g/mol
SMILES C1([C@@]([C@@](C)(CCC1)[H])(C)[H])=O
SPLASH splash10-001i-9200000000-5bc537fac56292ca4423
Source of Spectrum K-118-2441-4
Wiley ID 1130276