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(2R*,3R*)-2-Isopropyl-4,4-dimethyl-3-(toluene-4-sulfonylmethyl)cyclopentane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 7pKAXCsHh93
InChI InChI=1S/C22H32O6S/c1-14(2)18-17(12-29(25,26)16-10-8-15(3)9-11-16)21(4,5)13-22(18,19(23)27-6)20(24)28-7/h8-11,14,17-18H,12-13H2,1-7H3/t17-,18-/m1/s1
InChIKey KRUICZYRFXJFJU-QZTJIDSGSA-N
Mol Weight 424.6 g/mol
Molecular Formula C22H32O6S
Exact Mass 424.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEUf1IJiOBb
Name (2R*,3R*)-2-Isopropyl-4,4-dimethyl-3-(toluene-4-sulfonylmethyl)cyclopentane-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) (2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-(tosylmethyl)cyclopentane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O6S
InChI InChI=1S/C22H32O6S/c1-14(2)18-17(12-29(25,26)16-10-8-15(3)9-11-16)21(4,5)13-22(18,19(23)27-6)20(24)28-7/h8-11,14,17-18H,12-13H2,1-7H3/t17-,18-/m1/s1
InChIKey KRUICZYRFXJFJU-QZTJIDSGSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 424.552 g/mol
SMILES C1([C@@]([C@@](CS(=O)(c2ccc(cc2)C)=O)(C(C)(C1)C)[H])(C(C)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4m-5920000000-5d2a47485c356864697f
Source of Spectrum ASC-347-1587/SM15-7
Wiley ID 1767785