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CIS-2-CHLORO-3-(1,1-DIMETHYLETHYL)-CYCLOHEXANONE
SpectraBase Compound ID DArusGqIDso
InChI InChI=1S/C10H17ClO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey FUKJYJHJVUTMQN-VXNVDRBHSA-N
Mol Weight 188.7 g/mol
Molecular Formula C10H17ClO
Exact Mass 188.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DYZxBNPhz
Name (2R,3S)-3-tert-butyl-2-chloranyl-cyclohexan-1-one
CAS Registry Number 126754-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17ClO
InChI InChI=1S/C10H17ClO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1
InChIKey FUKJYJHJVUTMQN-VXNVDRBHSA-N
Molecular Weight 188.698 g/mol
SMILES [C@@]1([C@](C(C)(C)C)(CCCC1=O)[H])(Cl)[H]
SPLASH splash10-052b-9000000000-fa163379a1f42bbf2067
Source of Spectrum C-112-3472-0
Synonyms (2R,3S)-3-tert-butyl-2-chloro-1-cyclohexanone (2R,3S)-3-tert-butyl-2-chloro-cyclohexanone (2R,3S)-3-tert-butyl-2-chlorocyclohexan-1-one
Wiley ID 1184592