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(R+S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3-oxo-2-phenylbutanoate
SpectraBase Compound ID HySWC0ftZEA
InChI InChI=1S/C20H28O3/c1-13(2)17-11-10-14(3)12-18(17)23-20(22)19(15(4)21)16-8-6-5-7-9-16/h5-9,13-14,17-19H,10-12H2,1-4H3/t14-,17+,18?,19+/m1/s1
InChIKey MFGHATYYUHMIAY-MADJCNGTSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VVoip4eNyq
Name (R+S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3-oxo-2-phenylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13(2)17-11-10-14(3)12-18(17)23-20(22)19(15(4)21)16-8-6-5-7-9-16/h5-9,13-14,17-19H,10-12H2,1-4H3/t14-,17+,18?,19+/m1/s1
InChIKey MFGHATYYUHMIAY-MADJCNGTSA-N
Molecular Weight 316.441 g/mol
SMILES C([C@@](C(=O)C)(c1ccccc1)[H])(OC1[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-014i-9800000000-309fe872fe14c1fb3572
Source of Spectrum F-66-778-6b
Wiley ID 1684746