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Di-(-)-Menthyl (2S,3R,4R)-4-phenyl-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
SpectraBase Compound ID A5oJj6AH149
InChI InChI=1S/C37H50O4S2/c1-22(2)27-16-14-24(5)19-30(27)40-36(38)34-29(26-11-8-7-9-12-26)21-33(32-13-10-18-42-32)43-35(34)37(39)41-31-20-25(6)15-17-28(31)23(3)4/h7-13,18,21-25,27-31,34-35H,14-17,19-20H2,1-6H3/t24?,25?,27?,28?,29-,30?,31?,34+,35+/m1/s1
InChIKey YTWAVZLNGAOTKQ-NZDSELHASA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H50O4S2
Exact Mass 622.315052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHA6gNz6cj7
Name Di-(-)-Menthyl (2S,3R,4R)-4-phenyl-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Alternate Name(s) bis(2-isopropyl-5-methylcyclohexyl) (2S,3R,4R)-4-phenyl-6-(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H50O4S2
InChI InChI=1S/C37H50O4S2/c1-22(2)27-16-14-24(5)19-30(27)40-36(38)34-29(26-11-8-7-9-12-26)21-33(32-13-10-18-42-32)43-35(34)37(39)41-31-20-25(6)15-17-28(31)23(3)4/h7-13,18,21-25,27-31,34-35H,14-17,19-20H2,1-6H3/t24?,25?,27?,28?,29-,30?,31?,34+,35+/m1/s1
InChIKey YTWAVZLNGAOTKQ-NZDSELHASA-N
Molecular Weight 622.923 g/mol
SMILES [C@@]1([C@](SC(=C[C@@]1(c1ccccc1)[H])c1sccc1)(C(OC1C(CCC(C1)C)C(C)C)=O)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-001i-9204300000-dffd573348a4324f2653
Source of Spectrum KC-0-1901-3
Wiley ID 786078