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trans-2-Chloro-3-methylcyclohexan-1-one
SpectraBase Compound ID 5s8lJTVocr9
InChI InChI=1S/C7H11ClO/c1-5-3-2-4-6(9)7(5)8/h5,7H,2-4H2,1H3/t5-,7+/m0/s1
InChIKey FTQMHKWJQBVRDV-CAHLUQPWSA-N
Mol Weight 146.62 g/mol
Molecular Formula C7H11ClO
Exact Mass 146.049843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnRjz0nU5h9
Name trans-2-Chloro-3-methylcyclohexan-1-one
CAS Registry Number 63603-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11ClO
InChI InChI=1S/C7H11ClO/c1-5-3-2-4-6(9)7(5)8/h5,7H,2-4H2,1H3/t5-,7+/m0/s1
InChIKey FTQMHKWJQBVRDV-CAHLUQPWSA-N
Molecular Weight 146.617 g/mol
SMILES [C@]1(C(=O)CCC[C@@]1(C)[H])(Cl)[H]
SPLASH splash10-0pvl-9300000000-a56f8588253adf932330
Source of Spectrum J-49-804-0
Synonyms (2R,3S)-2-chloro-3-methylcyclohexanone
Wiley ID 1143931