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cis-Dimethyl 3-(3-chloro-3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
SpectraBase Compound ID 16WKhAKIXlJ
InChI InChI=1S/C21H27ClO6S/c1-14-5-9-18(10-6-14)29(25,26)13-17-12-21(19(23)27-3,20(24)28-4)11-16(17)8-7-15(2)22/h5-6,9-10,16-17H,2,7-8,11-13H2,1,3-4H3/t16-,17-/m0/s1
InChIKey HCPFYLHEDMSXSR-IRXDYDNUSA-N
Mol Weight 442.95 g/mol
Molecular Formula C21H27ClO6S
Exact Mass 442.121687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DywWJ2gdZ1w
Name cis-Dimethyl 3-(3-chloro-3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
Alternate Name(s) cis-methyl 3-(3-chloro-3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate Dimethyl (3S,4R)-3-(3-chloro-3-butenyl)-4-{[(4-methylphenyl)sulfonyl]methyl}-1,1-cyclopentanedicarboxylate
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Formula C21H27ClO6S
InChI InChI=1S/C21H27ClO6S/c1-14-5-9-18(10-6-14)29(25,26)13-17-12-21(19(23)27-3,20(24)28-4)11-16(17)8-7-15(2)22/h5-6,9-10,16-17H,2,7-8,11-13H2,1,3-4H3/t16-,17-/m0/s1
InChIKey HCPFYLHEDMSXSR-IRXDYDNUSA-N
Molecular Weight 442.954 g/mol
SMILES C1(C[C@@](CS(c2ccc(cc2)C)(=O)=O)([C@](C1)(CCC(=C)Cl)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-08fr-0081900000-a52d037a729ca8debb84
Source of Spectrum F-47-5433-3
Wiley ID 1385233