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2-Pyridinecarboxylic acid, 6-ethoxy-1,4,5,6-tetrahydro-4-methyl-1-(phenylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID 8QATU0VI2JW
InChI InChI=1S/C17H23NO5S/c1-4-22-16-12-13(3)11-15(17(19)23-5-2)18(16)24(20,21)14-9-7-6-8-10-14/h6-11,13,16H,4-5,12H2,1-3H3/t13-,16-/m0/s1
InChIKey XXNHATIWPDPAPY-BBRMVZONSA-N
Mol Weight 353.43 g/mol
Molecular Formula C17H23NO5S
Exact Mass 353.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7up0IkHtkkB
Name 2-Pyridinecarboxylic acid, 6-ethoxy-1,4,5,6-tetrahydro-4-methyl-1-(phenylsulfonyl)-, ethyl ester, cis-
Alternate Name(s) (2R*,4S*)-1-(phenylsufonyl)-2-ethoxy-4-methyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine Ethyl (4R,6S)-6-ethoxy-4-methyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
CAS Registry Number 132646-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO5S
InChI InChI=1S/C17H23NO5S/c1-4-22-16-12-13(3)11-15(17(19)23-5-2)18(16)24(20,21)14-9-7-6-8-10-14/h6-11,13,16H,4-5,12H2,1-3H3/t13-,16-/m0/s1
InChIKey XXNHATIWPDPAPY-BBRMVZONSA-N
Molecular Weight 353.433 g/mol
SMILES c1(S(N2C(C(=O)OCC)=C[C@@](C[C@@]2(OCC)[H])(C)[H])(=O)=O)ccccc1
SPLASH splash10-0690-8905000000-f3180508d862187573f9
Source of Spectrum C-113-1724-21
Wiley ID 1343849