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(2S*,3S*,4R*)-1-(phenylsufonyl)-2-ethoxy-3-methyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
SpectraBase Compound ID ttTvT9Frtz
InChI InChI=1S/C17H23NO5S/c1-4-22-16-13(3)15(17(19)23-5-2)11-12-18(16)24(20,21)14-9-7-6-8-10-14/h6-13,15-16H,4-5H2,1-3H3/t13-,15-,16-/m1/s1
InChIKey PDDCJXDWTWZZDS-FVQBIDKESA-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 FiIJuQ6fpFb
Name (2S*,3S*,4R*)-1-(phenylsufonyl)-2-ethoxy-3-methyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
CAS Registry Number 130147-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO5S
InChI InChI=1S/C17H23NO5S/c1-4-22-16-13(3)15(17(19)23-5-2)11-12-18(16)24(20,21)14-9-7-6-8-10-14/h6-13,15-16H,4-5H2,1-3H3/t13-,15-,16-/m1/s1
InChIKey PDDCJXDWTWZZDS-FVQBIDKESA-N
Molecular Weight 353.433 g/mol
SMILES c1(S(N2[C@@]([C@](C)([C@@](C=C2)(C(=O)OCC)[H])[H])(OCC)[H])(=O)=O)ccccc1
SPLASH splash10-0006-9151000000-d142f22b3adae917b054
Source of Spectrum C-113-1727-42
Synonyms (2R*,3R*,4R*)-1-(phenylsufonyl)-2-ethoxy-3-methyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine Ethyl (2R,3R,4R)-2-ethoxy-3-methyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1343853