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5-(4-Methoxyphenyl)-4-propyl-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
SpectraBase Compound ID F6Ay6z09u79
InChI InChI=1S/C22H27NO4S/c1-4-5-20-21(17-8-10-18(27-3)11-9-17)14-23(15-22(20)24)28(25,26)19-12-6-16(2)7-13-19/h6-13,22,24H,4-5,14-15H2,1-3H3
InChIKey SWFGRYZVUXRMJV-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjLrZrUcfPP
Name 5-(4-Methoxyphenyl)-4-propyl-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.166079523 u
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-4-5-20-21(17-8-10-18(27-3)11-9-17)14-23(15-22(20)24)28(25,26)19-12-6-16(2)7-13-19/h6-13,22,24H,4-5,14-15H2,1-3H3
InChIKey SWFGRYZVUXRMJV-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 401.521 g/mol
Reported Formula C22H27NO4S
SMILES OC1C(=C(CN(C1)S(C1=CC=C(C=C1)C)(=O)=O)C1=CC=C(C=C1)OC)CCC
SPLASH splash10-0fb9-0090000000-b54f503df5350cc8e346
Source of Spectrum QE-29-SM30-3cb (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.44 (33% EtOAc/toluene)
Wiley ID 1909454