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trans-2-chloro-4-phenylcyclohexanone
SpectraBase Compound ID FG2CWqYPh4R
InChI InChI=1S/C12H13ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey ZMCRXOQTWSQMDG-WDEREUQCSA-N
Mol Weight 208.69 g/mol
Molecular Formula C12H13ClO
Exact Mass 208.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXtE7oZGvS0
Name trans-2-chloro-4-phenylcyclohexanone
Alternate Name(s) (2R,4S)-2-chloro-4-phenylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO
InChI InChI=1S/C12H13ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey ZMCRXOQTWSQMDG-WDEREUQCSA-N
Molecular Weight 208.688 g/mol
SMILES C1([C@@](C[C@](CC1)(c1ccccc1)[H])(Cl)[H])=O
SPLASH splash10-0udl-4910000000-d5e42d7ca25c106995be
Source of Spectrum J-53-4024-0
Wiley ID 1206701