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(1R,3R,5S)-3-Benzoyl-2-methylene-5-(prop-1-en-2-yl)cyclohexane-1-ol
SpectraBase Compound ID Am8QTjaMXgT
InChI InChI=1S/C17H20O3/c1-11(2)14-9-15(18)12(3)16(10-14)20-17(19)13-7-5-4-6-8-13/h4-8,14-16,18H,1,3,9-10H2,2H3/t14-,15-,16+/m1/s1
InChIKey PRDKOMOYONODRV-OAGGEKHMSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mpQ2Z0hmFl
Name (1R,3R,5S)-3-Benzoyl-2-methylene-5-(prop-1-en-2-yl)cyclohexane-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-11(2)14-9-15(18)12(3)16(10-14)20-17(19)13-7-5-4-6-8-13/h4-8,14-16,18H,1,3,9-10H2,2H3/t14-,15-,16+/m1/s1
InChIKey PRDKOMOYONODRV-OAGGEKHMSA-N
Molecular Weight 272.344 g/mol
SMILES O[C@]1(C([C@@](OC(=O)c2ccccc2)(C[C@@](C1)(C(=C)C)[H])[H])=C)[H]
SPLASH splash10-0a6r-4900000000-67cc2b9014393cfacf8b
Source of Spectrum F-69-1615-23
Synonyms Benzoic acid (1S,3R,5R)-3-hydroxy-5-isopropenyl-2-methylene-cyclohexyl ester (1S,3R,5R)-3-hydroxy-2-methylene-5-(prop-1-en-2-yl)cyclohexyl benzoate
Wiley ID 1737649