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trans-3-Butyl-2-(6-chloropyridin-3-yl)cyclohexan-1-one
SpectraBase Compound ID 6JDKHsEDjiQ
InChI InChI=1S/C15H20ClNO/c1-2-3-5-11-6-4-7-13(18)15(11)12-8-9-14(16)17-10-12/h8-11,15H,2-7H2,1H3/t11-,15-/m1/s1
InChIKey NMSCLYYUWKSZCQ-IAQYHMDHSA-N
Mol Weight 265.78 g/mol
Molecular Formula C15H20ClNO
Exact Mass 265.123342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVwGvNAsOpn
Name trans-3-Butyl-2-(6-chloropyridin-3-yl)cyclohexan-1-one
Alternate Name(s) (2R,3R)-3-butyl-2-(6-chloropyridin-3-yl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20ClNO
InChI InChI=1S/C15H20ClNO/c1-2-3-5-11-6-4-7-13(18)15(11)12-8-9-14(16)17-10-12/h8-11,15H,2-7H2,1H3/t11-,15-/m1/s1
InChIKey NMSCLYYUWKSZCQ-IAQYHMDHSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 265.784 g/mol
SMILES C1([C@]([C@@](CCC1)(CCCC)[H])(c1cnc(cc1)Cl)[H])=O
SPLASH splash10-0699-3950000000-bed2deae8727341068ed
Source of Spectrum KD-52-2382/SM15-3p
Wiley ID 1803728