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(2S,5R)-2-(2-cyclopropylpropan-2-yl)-5-methyl-1-cyclohexanone
SpectraBase Compound ID 9XjVuXxa4W2
InChI InChI=1S/C13H22O/c1-9-4-7-11(12(14)8-9)13(2,3)10-5-6-10/h9-11H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKey JAOOHQPVSNYUTI-MWLCHTKSSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu7EtXTbrKT
Name (2S,5R)-2-(2-cyclopropylpropan-2-yl)-5-methyl-1-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9-4-7-11(12(14)8-9)13(2,3)10-5-6-10/h9-11H,4-8H2,1-3H3/t9-,11-/m1/s1
InChIKey JAOOHQPVSNYUTI-MWLCHTKSSA-N
Molecular Weight 194.318 g/mol
SMILES C([C@]1(C(C[C@@](CC1)(C)[H])=O)[H])(C1CC1)(C)C
SPLASH splash10-0ke9-6900000000-09817db2f9bcef8f2be8
Source of Spectrum J-58-2693-30
Synonyms (2S,5R)-2-(2-cyclopropylpropan-2-yl)-5-methyl-cyclohexan-1-one (2S,5R)-2-(2-cyclopropylpropan-2-yl)-5-methylcyclohexan-1-one
Wiley ID 1191535