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(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 2-oxo-2-p-tolylacetate
SpectraBase Compound ID 4TKkXrQcmH4
InChI InChI=1S/C19H26O3/c1-12(2)16-10-7-14(4)11-17(16)22-19(21)18(20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-/m0/s1
InChIKey MNTVNZSQCTUISL-UAGQMJEPSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oPa8Dq3aL5
Name (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 2-oxo-2-p-tolylacetate
Alternate Name(s) (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 2-oxo-2-(p-tolyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-12(2)16-10-7-14(4)11-17(16)22-19(21)18(20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-/m0/s1
InChIKey MNTVNZSQCTUISL-UAGQMJEPSA-N
Literature Reference DOI 10.1002/ajoc.201600591
Molecular Weight 302.414 g/mol
SMILES C(C(c1ccc(cc1)C)=O)(=O)O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-0002-3900000000-65c736eaebc2f5a5492b
Source of Spectrum AJO-6-311-30
Wiley ID 1806287