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(1R,4S)-4-[[(1R,3R)-3-hydroxy-4-methyl-1-phenylpentyl]sulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
SpectraBase Compound ID AbsGP8kvyxe
InChI InChI=1S/C22H32O2S/c1-15(2)18(23)13-19(16-8-6-5-7-9-16)25-14-22-11-10-17(12-20(22)24)21(22,3)4/h5-9,15,17-19,23H,10-14H2,1-4H3/t17-,18-,19-,22-/m1/s1
InChIKey YSAGDHBEQACQIL-JPAWQOSXSA-N
Mol Weight 360.6 g/mol
Molecular Formula C22H32O2S
Exact Mass 360.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EivmvipOpSA
Name (1R,4S)-4-[[(1R,3R)-3-hydroxy-4-methyl-1-phenylpentyl]sulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2S
InChI InChI=1S/C22H32O2S/c1-15(2)18(23)13-19(16-8-6-5-7-9-16)25-14-22-11-10-17(12-20(22)24)21(22,3)4/h5-9,15,17-19,23H,10-14H2,1-4H3/t17-,18-,19-,22-/m1/s1
InChIKey YSAGDHBEQACQIL-JPAWQOSXSA-N
Molecular Weight 360.556 g/mol
SMILES O[C@](C[C@](c1ccccc1)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(C(C)C)[H]
SPLASH splash10-0ac9-2910000000-ebd4bf8dd9f6087cb9ba
Source of Spectrum KD-15-899-4
Synonyms (1R,4S)-4-[[[(1R,3R)-3-hydroxy-4-methyl-1-phenylpentyl]thio]methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone (1R,4S)-7,7-dimethyl-4-[[(1R,3R)-4-methyl-3-oxidanyl-1-phenyl-pentyl]sulfanylmethyl]bicyclo[2.2.1]heptan-3-one (1S,4R)-1-[[(1R,3R)-3-hydroxy-4-methyl-1-phenyl-pentyl]sulfanylmethyl]-7,7-dimethyl-norbornan-2-one (1S,4R)-1-[[[(1R,3R)-3-hydroxy-4-methyl-1-phenyl-pentyl]thio]methyl]-7,7-dimethyl-norbornan-2-one
Wiley ID 1636863