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(1R*4R*,5S*,6S*)-5-Chloro-6-phenylthio-2-tosylbicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 8krhldw1tdw
InChI InChI=1S/C20H19ClO2S2/c1-13-7-9-16(10-8-13)25(22,23)18-12-14-11-17(18)20(19(14)21)24-15-5-3-2-4-6-15/h2-10,12,14,17,19-20H,11H2,1H3/t14-,17+,19+,20+/m0/s1
InChIKey LYVVMDXKBRYDBM-XFHUWUJUSA-N
Mol Weight 390.94 g/mol
Molecular Formula C20H19ClO2S2
Exact Mass 390.0515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpBB0AgBPq6
Name (1R*4R*,5S*,6S*)-5-Chloro-6-phenylthio-2-tosylbicyclo[2.2.1]hept-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO2S2
InChI InChI=1S/C20H19ClO2S2/c1-13-7-9-16(10-8-13)25(22,23)18-12-14-11-17(18)20(19(14)21)24-15-5-3-2-4-6-15/h2-10,12,14,17,19-20H,11H2,1H3/t14-,17+,19+,20+/m0/s1
InChIKey LYVVMDXKBRYDBM-XFHUWUJUSA-N
Molecular Weight 390.943 g/mol
SMILES C=1(S(c2ccc(cc2)C)(=O)=O)[C@@]2([C@@](Sc3ccccc3)([C@@]([C@](C1)(C2)[H])(Cl)[H])[H])[H]
SPLASH splash10-00di-0902000000-5f1836cf35a72bc7d93b
Source of Spectrum KC-0-4355-24
Synonyms 5-Chloro-2-[(4-methylphenyl)sulfonyl]-6-(phenylsulfanyl)bicyclo[2.2.1]hept-2-ene 5-Chloro-6-(phenylsulfanyl)bicyclo[2.2.1]hept-2-en-2-yl 4-methylphenyl sulfone 5-Chloro-6-phenylsulfanyl-2-(toluene-4-sulfonyl)-bicyclo[2.2.1]hept-2-ene
Wiley ID 832116