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5-(4-Methoxyphenyl)-4-(2-methylprop-1-en-1-yl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
SpectraBase Compound ID GR90SwyfYsO
InChI InChI=1S/C23H27NO4S/c1-16(2)13-21-22(18-7-9-19(28-4)10-8-18)14-24(15-23(21)25)29(26,27)20-11-5-17(3)6-12-20/h5-13,23,25H,14-15H2,1-4H3
InChIKey MRKATMKDNDBPKG-UHFFFAOYSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uy4VyLDa6G
Name 5-(4-Methoxyphenyl)-4-(2-methylprop-1-en-1-yl)-1-tosyl-1,2,3,6-tetrahydropyridin-3-ol
Appearance Brown oil
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Exact Mass 413.166079523 u
Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c1-16(2)13-21-22(18-7-9-19(28-4)10-8-18)14-24(15-23(21)25)29(26,27)20-11-5-17(3)6-12-20/h5-13,23,25H,14-15H2,1-4H3
InChIKey MRKATMKDNDBPKG-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203068
Molecular Weight 413.532 g/mol
Reported Formula C23H27O4S
SMILES OC1CN(CC(=C1C=C(C)C)C=1C=CC(OC)=CC1)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-0006-0092000000-3be6c90abd5323e29465
Source of Spectrum QE-29-SM38-3nb (DOI: 10.1002/chem.202203068)
Thin-Layer Chromatography 0.34 (20% EtOAc/toluene).
Wiley ID 1909455