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4-Pyridinecarboxylic acid, 1,2,3,4-tetrahydro-2-phenyl-1-(phenylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID HLa8qAxKOjP
InChI InChI=1S/C20H21NO4S/c1-2-25-20(22)17-13-14-21(19(15-17)16-9-5-3-6-10-16)26(23,24)18-11-7-4-8-12-18/h3-14,17,19H,2,15H2,1H3/t17-,19+/m0/s1
InChIKey YQVDRCLEDNVCHE-PKOBYXMFSA-N
Mol Weight 371.45 g/mol
Molecular Formula C20H21NO4S
Exact Mass 371.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14mbGR9iuZm
Name 4-Pyridinecarboxylic acid, 1,2,3,4-tetrahydro-2-phenyl-1-(phenylsulfonyl)-, ethyl ester, cis-
CAS Registry Number 130146-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO4S
InChI InChI=1S/C20H21NO4S/c1-2-25-20(22)17-13-14-21(19(15-17)16-9-5-3-6-10-16)26(23,24)18-11-7-4-8-12-18/h3-14,17,19H,2,15H2,1H3/t17-,19+/m0/s1
InChIKey YQVDRCLEDNVCHE-PKOBYXMFSA-N
Molecular Weight 371.451 g/mol
SMILES [C@@]1(N(S(=O)(=O)c2ccccc2)C=C[C@@](C1)(C(=O)OCC)[H])(c1ccccc1)[H]
SPLASH splash10-0a4j-5961000000-bbbab33ce7b60bf57455
Source of Spectrum C-113-1727-41
Synonyms (2R*,4R*)-1-(phenylsufonyl)-2-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine Ethyl (2R,4R)-2-phenyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1354939