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cis-2-(3-chloro-3-buten-1-yl)-3-p-toluenesulfonylmethyl-8,8-dimethyl-spiro[4,5]octa-6,10-dione

View entire compound with spectra: 1 MS (GC)

cis-2-(3-chloro-3-buten-1-yl)-3-p-toluenesulfonylmethyl-8,8-dimethyl-spiro[4,5]octa-6,10-dione
SpectraBase Compound ID 4aECP7kpB0K
InChI InChI=1S/C24H31ClO4S/c1-16-5-9-20(10-6-16)30(28,29)15-19-12-24(11-18(19)8-7-17(2)25)21(26)13-23(3,4)14-22(24)27/h5-10,17-19H,11-15H2,1-4H3/b8-7+/t17?,18-,19-/m1/s1
InChIKey XZTRWQSIRRSSTL-HJYVNPNLSA-N
Mol Weight 451.02 g/mol
Molecular Formula C24H31ClO4S
Exact Mass 450.163158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNo7OEkhuE8
Name cis-2-(3-chloro-3-buten-1-yl)-3-p-toluenesulfonylmethyl-8,8-dimethyl-spiro[4,5]octa-6,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31ClO4S
InChI InChI=1S/C24H31ClO4S/c1-16-5-9-20(10-6-16)30(28,29)15-19-12-24(11-18(19)8-7-17(2)25)21(26)13-23(3,4)14-22(24)27/h5-10,17-19H,11-15H2,1-4H3/b8-7+/t17?,18-,19-/m1/s1
InChIKey XZTRWQSIRRSSTL-HJYVNPNLSA-N
Molecular Weight 451.021 g/mol
SMILES C12(C(CC(CC2=O)(C)C)=O)C[C@](CS(c2ccc(cc2)C)(=O)=O)([C@@](C1)(\C=C\C(Cl)C)[H])[H]
SPLASH splash10-0udi-0030900000-eede21d384572af3717c
Source of Spectrum F-47-5434-3
Synonyms (2S,3S)-2-[(1E)-3-chloro-1-butenyl]-8,8-dimethyl-3-{[(4-methylphenyl)sulfonyl]methyl}spiro[4.5]decane-6,10-dione
Wiley ID 1387666