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(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
SpectraBase Compound ID 5oa2KDtb9QO
InChI InChI=1S/C15H18O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-13H,2-5H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKey JHAROMYZTGWTSG-OLZOCXBDSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qfuotqiIHo
Name (1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-13H,2-5H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKey JHAROMYZTGWTSG-OLZOCXBDSA-N
Molecular Weight 246.306 g/mol
SMILES OC([C@@]1([C@](C(c2ccc(cc2)C)=O)(CCCC1)[H])[H])=O
SPLASH splash10-014i-0900000000-75c6d66271c0ffa63912
Source of Spectrum H1-36-1816-1
Synonyms (1S,2R)-2-(4-methylbenzoyl)cyclohexanecarboxylic acid (1S,2R)-2-(4-methylphenyl)carbonylcyclohexane-1-carboxylic acid (1S,2R)-2-p-toluoylcyclohexanecarboxylic acid (1S,2R)-2-[(4-methylphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid
Wiley ID 755271