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cis-Methyl 3-(3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
SpectraBase Compound ID LHWSzLlV3IB
InChI InChI=1S/C21H28O6S/c1-5-6-7-16-12-21(19(22)26-3,20(23)27-4)13-17(16)14-28(24,25)18-10-8-15(2)9-11-18/h5,8-11,16-17H,1,6-7,12-14H2,2-4H3/t16-,17-/m0/s1
InChIKey RYZCVWDCSQNECW-IRXDYDNUSA-N
Mol Weight 408.51 g/mol
Molecular Formula C21H28O6S
Exact Mass 408.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iRUkwR8Tmd
Name cis-Methyl 3-(3-buten-1-yl)-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
Alternate Name(s) Dimethyl (3S,4R)-3-(3-butenyl)-4-{[(4-methylphenyl)sulfonyl]methyl}-1,1-cyclopentanedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6S
InChI InChI=1S/C21H28O6S/c1-5-6-7-16-12-21(19(22)26-3,20(23)27-4)13-17(16)14-28(24,25)18-10-8-15(2)9-11-18/h5,8-11,16-17H,1,6-7,12-14H2,2-4H3/t16-,17-/m0/s1
InChIKey RYZCVWDCSQNECW-IRXDYDNUSA-N
Molecular Weight 408.509 g/mol
SMILES C1(C[C@@](CS(c2ccc(cc2)C)(=O)=O)([C@](C1)(CCC=C)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0udi-0194000000-8418eb7c4f433de31527
Source of Spectrum F-47-5433-3
Wiley ID 1372867