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Di-(-)-Menthyl (2S,3R,4R)-6-phenyl-4-(p-tolyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
SpectraBase Compound ID EqDsc6DY1Dn
InChI InChI=1S/C40H54O4S/c1-24(2)31-19-15-27(6)21-34(31)43-39(41)37-33(29-17-13-26(5)14-18-29)23-36(30-11-9-8-10-12-30)45-38(37)40(42)44-35-22-28(7)16-20-32(35)25(3)4/h8-14,17-18,23-25,27-28,31-35,37-38H,15-16,19-22H2,1-7H3/t27?,28?,31?,32?,33-,34?,35?,37+,38+/m1/s1
InChIKey SMFQUYKXDKXGKM-CNODLWNTSA-N
Mol Weight 630.9 g/mol
Molecular Formula C40H54O4S
Exact Mass 630.374281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBCV9BxDcDK
Name Di-(-)-Menthyl (2S,3R,4R)-6-phenyl-4-(p-tolyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O4S
InChI InChI=1S/C40H54O4S/c1-24(2)31-19-15-27(6)21-34(31)43-39(41)37-33(29-17-13-26(5)14-18-29)23-36(30-11-9-8-10-12-30)45-38(37)40(42)44-35-22-28(7)16-20-32(35)25(3)4/h8-14,17-18,23-25,27-28,31-35,37-38H,15-16,19-22H2,1-7H3/t27?,28?,31?,32?,33-,34?,35?,37+,38+/m1/s1
InChIKey SMFQUYKXDKXGKM-CNODLWNTSA-N
Molecular Weight 630.928 g/mol
SMILES [C@@]1([C@](SC(=C[C@@]1(c1ccc(cc1)C)[H])c1ccccc1)(C(OC1C(CCC(C1)C)C(C)C)=O)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-0f8c-9138500000-8abfbb9b43da14aef02f
Source of Spectrum KC-0-1901-3
Synonyms bis(2-isopropyl-5-methylcyclohexyl) (2S,3R,4R)-4-(4-methylphenyl)-6-phenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Wiley ID 786083