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(2R*,3R*,4R*)-1-(phenylsufonyl)-2-ethoxy-3-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
SpectraBase Compound ID DmZFUmOX6OG
InChI InChI=1S/C22H25NO5S/c1-3-27-21-20(17-11-7-5-8-12-17)19(22(24)28-4-2)15-16-23(21)29(25,26)18-13-9-6-10-14-18/h5-16,19-21H,3-4H2,1-2H3/t19-,20+,21-/m1/s1
InChIKey ZLDCKNVUIZVIBW-QHAWAJNXSA-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 1r0PEOnSyUK
Name (2R*,3R*,4R*)-1-(phenylsufonyl)-2-ethoxy-3-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
CAS Registry Number 130147-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-3-27-21-20(17-11-7-5-8-12-17)19(22(24)28-4-2)15-16-23(21)29(25,26)18-13-9-6-10-14-18/h5-16,19-21H,3-4H2,1-2H3/t19-,20+,21-/m1/s1
InChIKey ZLDCKNVUIZVIBW-QHAWAJNXSA-N
Molecular Weight 415.504 g/mol
SMILES c1(S(N2[C@@]([C@@](c3ccccc3)([C@@](C=C2)(C(=O)OCC)[H])[H])(OCC)[H])(=O)=O)ccccc1
SPLASH splash10-0adm-3910000000-275d3402dc7e2196c3ae
Source of Spectrum C-113-1727-40
Synonyms Ethyl (2R,3R,4R)-2-ethoxy-3-phenyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1375965