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TRANS-2-CHLORO-3-ETHYLCYCLOHEXANONE
SpectraBase Compound ID K0d2NcUWbJK
InChI InChI=1S/C8H13ClO/c1-2-6-4-3-5-7(10)8(6)9/h6,8H,2-5H2,1H3/t6-,8+/m0/s1
InChIKey XUSVOHQLCMTGQO-POYBYMJQSA-N
Mol Weight 160.64 g/mol
Molecular Formula C8H13ClO
Exact Mass 160.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tX40DZm2tm
Name (2R,3S)-2-chloranyl-3-ethyl-cyclohexan-1-one
Alternate Name(s) (2R,3S)-2-chloro-3-ethyl-1-cyclohexanone (2R,3S)-2-chloro-3-ethyl-cyclohexanone (2R,3S)-2-chloro-3-ethylcyclohexan-1-one
CAS Registry Number 126754-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClO
InChI InChI=1S/C8H13ClO/c1-2-6-4-3-5-7(10)8(6)9/h6,8H,2-5H2,1H3/t6-,8+/m0/s1
InChIKey XUSVOHQLCMTGQO-POYBYMJQSA-N
Molecular Weight 160.644 g/mol
SMILES [C@]1(C(=O)CCC[C@@]1(CC)[H])(Cl)[H]
SPLASH splash10-01c1-9400000000-e23bc957d638397321aa
Source of Spectrum C-112-3472-0
Wiley ID 1156689