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anti-Ethyl (4R*,5S*,6S*,7S*)-6-Chloro-5-(phenylsthio)-4,5,6,7-tetrahydro-4,7-ethano-2H-isoindole-1-carboxylate
SpectraBase Compound ID B6MEwnkQIO3
InChI InChI=1S/C19H20ClNO2S/c1-2-23-19(22)17-15-13-9-8-12(14(15)10-21-17)18(16(13)20)24-11-6-4-3-5-7-11/h3-7,10,12-13,16,18,21H,2,8-9H2,1H3/t12-,13+,16+,18+/m1/s1
InChIKey WWROEWGJNVIBTI-UHFFFAOYSA-N
Mol Weight 361.89 g/mol
Molecular Formula C19H20ClNO2S
Exact Mass 361.090328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VWsgSSuZyD
Name anti-Ethyl (4R*,5S*,6S*,7S*)-6-Chloro-5-(phenylsthio)-4,5,6,7-tetrahydro-4,7-ethano-2H-isoindole-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClNO2S
InChI InChI=1S/C19H20ClNO2S/c1-2-23-19(22)17-15-13-9-8-12(14(15)10-21-17)18(16(13)20)24-11-6-4-3-5-7-11/h3-7,10,12-13,16,18,21H,2,8-9H2,1H3/t12-,13+,16+,18+/m1/s1
InChIKey WWROEWGJNVIBTI-UHFFFAOYSA-N
Molecular Weight 361.887 g/mol
SMILES [nH]1cc2c(c1C(=O)OCC)[C@]1([C@@]([C@]([C@@]2(CC1)[H])(Sc1ccccc1)[H])(Cl)[H])[H]
SPLASH splash10-0006-0942000000-353245c55be49644b169
Source of Spectrum KC-0-4353-11
Synonyms anti-Ethyl (4R*,5S*,6S*,7S*)-6-Chloro-5-(phenylthio)-4,5,6,7-tetrahydro-4,7-ethano-2H-isoindole-1-carboxylate
Wiley ID 832123