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4-Phenylsulfanyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid ethyl ester
SpectraBase Compound ID 4MuVSL475eC
InChI InChI=1S/C21H23NO4S2/c1-3-26-21(23)20-15-18(27-17-7-5-4-6-8-17)13-14-22(20)28(24,25)19-11-9-16(2)10-12-19/h4-13,20H,3,14-15H2,1-2H3
InChIKey JMABDLSNMIZOEY-UHFFFAOYSA-N
Mol Weight 417.54 g/mol
Molecular Formula C21H23NO4S2
Exact Mass 417.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bV0xpMK30O
Name 4-Phenylsulfanyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 4-(phenylthio)-(1-toluenesulfonyl)-1,2,3,6-tetrahydro-2-pyridinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4S2
InChI InChI=1S/C21H23NO4S2/c1-3-26-21(23)20-15-18(27-17-7-5-4-6-8-17)13-14-22(20)28(24,25)19-11-9-16(2)10-12-19/h4-13,20H,3,14-15H2,1-2H3
InChIKey JMABDLSNMIZOEY-UHFFFAOYSA-N
Molecular Weight 417.538 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CC=C(C1)Sc1ccccc1)C(=O)OCC
SPLASH splash10-03du-4590000000-81552a0c7e4b961354f2
Source of Spectrum F-67-5399-12
Wiley ID 1687071