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(2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-(p-tolylthiomethyl)cyclopentane-1,1-dicarboxylate
SpectraBase Compound ID 1WBdzv57to3
InChI InChI=1S/C22H32O4S/c1-14(2)18-17(12-27-16-10-8-15(3)9-11-16)21(4,5)13-22(18,19(23)25-6)20(24)26-7/h8-11,14,17-18H,12-13H2,1-7H3/t17-,18-/m1/s1
InChIKey PPSLQACXKKZHOP-QZTJIDSGSA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z3srSEgszV
Name (2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-(p-tolylthiomethyl)cyclopentane-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4S
InChI InChI=1S/C22H32O4S/c1-14(2)18-17(12-27-16-10-8-15(3)9-11-16)21(4,5)13-22(18,19(23)25-6)20(24)26-7/h8-11,14,17-18H,12-13H2,1-7H3/t17-,18-/m1/s1
InChIKey PPSLQACXKKZHOP-QZTJIDSGSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 392.554 g/mol
SMILES C1([C@@]([C@](C(C)(C1)C)(CSc1ccc(cc1)C)[H])(C(C)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0596-4922000000-cca241bbef8f73e31c05
Source of Spectrum ASC-347-1587/SM15-6
Synonyms (2R,3R)-dimethyl 2-isopropyl-4,4-dimethyl-3-((p-tolylthio)methyl)cyclopentane-1,1-dicarboxylate
Wiley ID 1767784