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(E)-3-[(S)-6-Methyl-4-phenylsulfanyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridin-2-yl]-acrylic acid ethyl ester
SpectraBase Compound ID 7S4SFvXHqEi
InChI InChI=1S/C24H27NO4S2/c1-4-29-24(26)15-12-20-17-22(30-21-8-6-5-7-9-21)16-19(3)25(20)31(27,28)23-13-10-18(2)11-14-23/h5-16,19-20H,4,17H2,1-3H3/b15-12+/t19-,20?/m0/s1
InChIKey ZJANZPGHFIEEMR-KWBANXLOSA-N
Mol Weight 457.6 g/mol
Molecular Formula C24H27NO4S2
Exact Mass 457.138151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OMKC39FRss
Name (E)-3-[(S)-6-Methyl-4-phenylsulfanyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridin-2-yl]-acrylic acid ethyl ester
Alternate Name(s) cis-(E)-and (Z)-1-Tosyl-2-[(2-ethoxycarbonyl)ethenyl]-6-methyl-4-(phenylthio)-1,2,3,6-tetrahydropyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO4S2
InChI InChI=1S/C24H27NO4S2/c1-4-29-24(26)15-12-20-17-22(30-21-8-6-5-7-9-21)16-19(3)25(20)31(27,28)23-13-10-18(2)11-14-23/h5-16,19-20H,4,17H2,1-3H3/b15-12+/t19-,20?/m0/s1
InChIKey ZJANZPGHFIEEMR-KWBANXLOSA-N
Molecular Weight 457.603 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)[C@](C=C(C1)Sc1ccccc1)(C)[H])\C=C\C(=O)OCC
SPLASH splash10-0f8a-0069100000-f22f6bcd51a2eb8b2e9a
Source of Spectrum F-67-5400-19
Wiley ID 1687065