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cis-Methyl 3-Chloromethyl-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
SpectraBase Compound ID H2bNQjNfNZj
InChI InChI=1S/C18H23ClO6S/c1-12-4-6-15(7-5-12)26(22,23)11-14-9-18(16(20)24-2,17(21)25-3)8-13(14)10-19/h4-7,13-14H,8-11H2,1-3H3/t13-,14+/m1/s1
InChIKey OBMUCEIBYPIHQG-KGLIPLIRSA-N
Mol Weight 402.89 g/mol
Molecular Formula C18H23ClO6S
Exact Mass 402.090387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lfep1YJnI8
Name cis-Methyl 3-Chloromethyl-4-p-toluenesulfonylmethyl-cyclopentane-1,1-dicarboxylate
Alternate Name(s) Dimethyl (3S,4R)-3-(chloromethyl)-4-{[(4-methylphenyl)sulfonyl]methyl}-1,1-cyclopentanedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO6S
InChI InChI=1S/C18H23ClO6S/c1-12-4-6-15(7-5-12)26(22,23)11-14-9-18(16(20)24-2,17(21)25-3)8-13(14)10-19/h4-7,13-14H,8-11H2,1-3H3/t13-,14+/m1/s1
InChIKey OBMUCEIBYPIHQG-KGLIPLIRSA-N
Molecular Weight 402.889 g/mol
SMILES C1(C[C@@](CS(c2ccc(cc2)C)(=O)=O)([C@](C1)(CCl)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-00kv-4690000000-8120da0346a5dd114018
Source of Spectrum F-47-5435-7
Wiley ID 1370200