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(2R*,4S)-1-(phenylsufonyl)-2-ethoxy-4-phenyl-6-ethoxycarbonyl-1,2,3,4-hydropyridine
SpectraBase Compound ID JpoPnJmkDkd
InChI InChI=1S/C22H25NO5S/c1-3-27-21-16-18(17-11-7-5-8-12-17)15-20(22(24)28-4-2)23(21)29(25,26)19-13-9-6-10-14-19/h5-15,18,21H,3-4,16H2,1-2H3/t18-,21-/m1/s1
InChIKey OEHMXQVCERMZSE-WIYYLYMNSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkgGwj2mynI
Name (2R*,4S)-1-(phenylsufonyl)-2-ethoxy-4-phenyl-6-ethoxycarbonyl-1,2,3,4-hydropyridine
Alternate Name(s) Ethyl (4S,6R)-6-ethoxy-4-phenyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
CAS Registry Number 132646-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-3-27-21-16-18(17-11-7-5-8-12-17)15-20(22(24)28-4-2)23(21)29(25,26)19-13-9-6-10-14-19/h5-15,18,21H,3-4,16H2,1-2H3/t18-,21-/m1/s1
InChIKey OEHMXQVCERMZSE-WIYYLYMNSA-N
Molecular Weight 415.504 g/mol
SMILES C=1(N([C@@](C[C@@](C1)(c1ccccc1)[H])(OCC)[H])S(=O)(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-004i-6690000000-7d93d6872c5efab11a90
Source of Spectrum C-113-1724-21
Wiley ID 1375964