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2,6-Dimethyl-2-phenylthiomethylbicyclo[4.3.0]non-1(9)-en-7-ol tosylate
SpectraBase Compound ID 7twX5qil7CJ
InChI InChI=1S/C25H30O3S2/c1-19-10-12-21(13-11-19)30(26,27)28-23-15-14-22-24(2,16-7-17-25(22,23)3)18-29-20-8-5-4-6-9-20/h4-6,8-14,23H,7,15-18H2,1-3H3/t23-,24-,25-/m0/s1
InChIKey CMQZLMRKCMZYLZ-SDHOMARFSA-N
Mol Weight 442.63 g/mol
Molecular Formula C25H30O3S2
Exact Mass 442.163637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWZkTRyf0zz
Name 2,6-Dimethyl-2-phenylthiomethylbicyclo[4.3.0]non-1(9)-en-7-ol tosylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O3S2
InChI InChI=1S/C25H30O3S2/c1-19-10-12-21(13-11-19)30(26,27)28-23-15-14-22-24(2,16-7-17-25(22,23)3)18-29-20-8-5-4-6-9-20/h4-6,8-14,23H,7,15-18H2,1-3H3/t23-,24-,25-/m0/s1
InChIKey CMQZLMRKCMZYLZ-SDHOMARFSA-N
Molecular Weight 442.632 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@]2(C([C@@](CSc3ccccc3)(C)CCC2)=CC1)C)[H]
SPLASH splash10-00r5-1910100000-631c16a7474375a62c2c
Source of Spectrum QE-4-1486-18
Synonyms 4,7a-dimethyl-4-[(phenylsulfanyl)methyl]-2,4,5,6,7,7a-hexahydro-1H-inden-1-yl 4-methylbenzenesulfonate Toluene-4-sulfonic acid (1S,4R,7aS)-4,7a-dimethyl-4-phenylsulfanylmethyl-2,4,5,6,7,7a-hexahydro-1H-inden-1-yl ester [(1S,4R,7aS)-4,7a-dimethyl-4-(phenylsulfanylmethyl)-2,5,6,7-tetrahydro-1H-inden-1-yl] 4-methylbenzenesulfonate
Wiley ID 843706