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Di-(-)-Menthyl (2S,3R,4R)-4,6-Di(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
SpectraBase Compound ID JwrhfTx69hy
InChI InChI=1S/C35H48O4S3/c1-20(2)24-13-11-22(5)17-27(24)38-34(36)32-26(29-9-7-15-40-29)19-31(30-10-8-16-41-30)42-33(32)35(37)39-28-18-23(6)12-14-25(28)21(3)4/h7-10,15-16,19-28,32-33H,11-14,17-18H2,1-6H3/t22?,23?,24?,25?,26-,27?,28?,32+,33+/m1/s1
InChIKey HVILFKWJHHTOBA-BHSUSRTJSA-N
Mol Weight 628.9 g/mol
Molecular Formula C35H48O4S3
Exact Mass 628.271474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcrsyRFk49C
Name Di-(-)-Menthyl (2S,3R,4R)-4,6-Di(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Alternate Name(s) bis(2-isopropyl-5-methylcyclohexyl) (2S,3R,4R)-4,6-di(2-thienyl)-3,4-dihydro-2H-thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H48O4S3
InChI InChI=1S/C35H48O4S3/c1-20(2)24-13-11-22(5)17-27(24)38-34(36)32-26(29-9-7-15-40-29)19-31(30-10-8-16-41-30)42-33(32)35(37)39-28-18-23(6)12-14-25(28)21(3)4/h7-10,15-16,19-28,32-33H,11-14,17-18H2,1-6H3/t22?,23?,24?,25?,26-,27?,28?,32+,33+/m1/s1
InChIKey HVILFKWJHHTOBA-BHSUSRTJSA-N
Molecular Weight 628.945 g/mol
SMILES [C@@]1([C@](SC(=C[C@@]1(c1sccc1)[H])c1sccc1)(C(OC1C(CCC(C1)C)C(C)C)=O)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-001r-9103401000-3a1e70bc01cfef620e60
Source of Spectrum KC-0-1901-3
Wiley ID 786077