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2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6,6-dimethoxy-4-phenyl-1-(phenylsulfonyl)-, ethyl ester
SpectraBase Compound ID 61mhEWPE9mS
InChI InChI=1S/C22H25NO6S/c1-4-29-21(24)20-15-18(17-11-7-5-8-12-17)16-22(27-2,28-3)23(20)30(25,26)19-13-9-6-10-14-19/h5-15,18H,4,16H2,1-3H3
InChIKey FDBOHYXFIDRBPY-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C22H25NO6S
Exact Mass 431.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AUz5UlJF8x
Name 2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6,6-dimethoxy-4-phenyl-1-(phenylsulfonyl)-, ethyl ester
CAS Registry Number 132646-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6S
InChI InChI=1S/C22H25NO6S/c1-4-29-21(24)20-15-18(17-11-7-5-8-12-17)16-22(27-2,28-3)23(20)30(25,26)19-13-9-6-10-14-19/h5-15,18H,4,16H2,1-3H3
InChIKey FDBOHYXFIDRBPY-UHFFFAOYSA-N
Molecular Weight 431.503 g/mol
SMILES C=1(N(C(CC(C1)c1ccccc1)(OC)OC)S(=O)(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-000i-9110000000-2726f465e0ca6d84d25b
Source of Spectrum C-113-1725-31
Synonyms (4R*)-1-(phenylsufonyl)-2,2-dimethoxy-4-phenyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine Ethyl 6,6-dimethoxy-4-phenyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
Wiley ID 1381947