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(1S,2S,3S,6R)-6-(Phenylthio)-2,3-isopropylidendioxy-4-bromocyclohexene-1-ol
SpectraBase Compound ID EIxjWgwAKMX
InChI InChI=1S/C15H17BrO3S/c1-15(2)18-13-10(16)8-11(12(17)14(13)19-15)20-9-6-4-3-5-7-9/h3-8,11-14,17H,1-2H3/t11-,12-,13-,14+/m1/s1
InChIKey SMJLSTWVMVDQOZ-SYQHCUMBSA-N
Mol Weight 357.26 g/mol
Molecular Formula C15H17BrO3S
Exact Mass 356.008179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeK9sgxCViG
Name (1S,2S,3S,6R)-6-(Phenylthio)-2,3-isopropylidendioxy-4-bromocyclohexene-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrO3S
InChI InChI=1S/C15H17BrO3S/c1-15(2)18-13-10(16)8-11(12(17)14(13)19-15)20-9-6-4-3-5-7-9/h3-8,11-14,17H,1-2H3/t11-,12-,13-,14+/m1/s1
InChIKey SMJLSTWVMVDQOZ-SYQHCUMBSA-N
Molecular Weight 357.262 g/mol
SMILES O[C@@]1([C@@](C=C([C@@]2([C@]1(OC(C)(C)O2)[H])[H])Br)(Sc1ccccc1)[H])[H]
SPLASH splash10-02t9-8930000000-6a21610d4df856c64d3b
Source of Spectrum QC-17-477-5
Synonyms (1S,2R,3S,6R)-6-(Phenylthio)-2,3-isopropylidendioxy-4-bromocyclohexene-1-ol (3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-(phenylsulfanyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Wiley ID 1638077