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2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-4,6-diphenyl-1-(phenylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID C93NHFKnPJV
InChI InChI=1S/C26H25NO4S/c1-2-31-26(28)25-19-22(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27(25)32(29,30)23-16-10-5-11-17-23/h3-17,19,22,24H,2,18H2,1H3/t22-,24-/m1/s1
InChIKey VRVWMXIGNHRUMU-ISKFKSNPSA-N
Mol Weight 447.55 g/mol
Molecular Formula C26H25NO4S
Exact Mass 447.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Wv6LDfUZxT
Name 2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-4,6-diphenyl-1-(phenylsulfonyl)-, ethyl ester, cis-
CAS Registry Number 132646-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO4S
InChI InChI=1S/C26H25NO4S/c1-2-31-26(28)25-19-22(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27(25)32(29,30)23-16-10-5-11-17-23/h3-17,19,22,24H,2,18H2,1H3/t22-,24-/m1/s1
InChIKey VRVWMXIGNHRUMU-ISKFKSNPSA-N
Molecular Weight 447.549 g/mol
SMILES C=1(N([C@](C[C@](C1)(c1ccccc1)[H])(c1ccccc1)[H])S(=O)(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-0fb9-9211000000-0f807a8b87a943387edc
Source of Spectrum C-113-1725-29
Synonyms (2R,4R*)-1-(phenylsufonyl)-2,4-diphenyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine Ethyl (4R,6R)-4,6-diphenyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
Wiley ID 1386940