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Di-(-)-Menthyl (2S,3R,4R)-6-phenyl-4-(p-chlorophenyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
SpectraBase Compound ID AWmJQ0JDTSg
InChI InChI=1S/C39H51ClO4S/c1-23(2)30-18-12-25(5)20-33(30)43-38(41)36-32(27-14-16-29(40)17-15-27)22-35(28-10-8-7-9-11-28)45-37(36)39(42)44-34-21-26(6)13-19-31(34)24(3)4/h7-11,14-17,22-26,30-34,36-37H,12-13,18-21H2,1-6H3/t25?,26?,30?,31?,32-,33?,34?,36+,37+/m1/s1
InChIKey BQYUTVPQWRFOBP-DVUXLCOJSA-N
Mol Weight 651.3 g/mol
Molecular Formula C39H51ClO4S
Exact Mass 650.319659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeaRyJrOh4P
Name Di-(-)-Menthyl (2S,3R,4R)-6-phenyl-4-(p-chlorophenyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H51ClO4S
InChI InChI=1S/C39H51ClO4S/c1-23(2)30-18-12-25(5)20-33(30)43-38(41)36-32(27-14-16-29(40)17-15-27)22-35(28-10-8-7-9-11-28)45-37(36)39(42)44-34-21-26(6)13-19-31(34)24(3)4/h7-11,14-17,22-26,30-34,36-37H,12-13,18-21H2,1-6H3/t25?,26?,30?,31?,32-,33?,34?,36+,37+/m1/s1
InChIKey BQYUTVPQWRFOBP-DVUXLCOJSA-N
Molecular Weight 651.346 g/mol
SMILES [C@@]1([C@](SC(=C[C@@]1(c1ccc(cc1)Cl)[H])c1ccccc1)(C(OC1C(CCC(C1)C)C(C)C)=O)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-001i-9203020000-528d21b9e937997f3e2d
Source of Spectrum KC-0-1901-3
Synonyms bis(2-isopropyl-5-methylcyclohexyl) (2S,3R,4R)-4-(4-chlorophenyl)-6-phenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Wiley ID 786081