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Di-(-)-Menthyl (2R,3S,4S)-6-phenyl-4-(p-tolyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
SpectraBase Compound ID 3FlfV0ITNCW
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+/m0/s1
InChIKey SMFQUYKXDKXGKM-JXYYATNJSA-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 BgHKUxz3XVm
Name Di-(-)-Menthyl (2R,3S,4S)-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+/m0/s1
InChIKey SMFQUYKXDKXGKM-JXYYATNJSA-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 splash10-001i-9113100000-89324b5b3d32f93a24ef
Source of Spectrum KC-0-1901-4
Synonyms bis(2-isopropyl-5-methylcyclohexyl) (2R,3S,4S)-4-(4-methylphenyl)-6-phenyl-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Wiley ID 786082