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2-(Hydroxymethyl)-4-(phenylthio)-1-toluenesulfonyl-1,2,3,6-tetrahydropyridine
SpectraBase Compound ID 2koZdx6FJU4
InChI InChI=1S/C19H21NO3S2/c1-15-7-9-19(10-8-15)25(22,23)20-12-11-18(13-16(20)14-21)24-17-5-3-2-4-6-17/h2-11,16,21H,12-14H2,1H3
InChIKey XSIWJVCJQAKUHW-UHFFFAOYSA-N
Mol Weight 375.5 g/mol
Molecular Formula C19H21NO3S2
Exact Mass 375.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0WCkU5YZtB
Name 2-(Hydroxymethyl)-4-(phenylthio)-1-toluenesulfonyl-1,2,3,6-tetrahydropyridine
Alternate Name(s) [4-Phenylsulfanyl-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridin-2-yl]-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3S2
InChI InChI=1S/C19H21NO3S2/c1-15-7-9-19(10-8-15)25(22,23)20-12-11-18(13-16(20)14-21)24-17-5-3-2-4-6-17/h2-11,16,21H,12-14H2,1H3
InChIKey XSIWJVCJQAKUHW-UHFFFAOYSA-N
Molecular Weight 375.501 g/mol
SMILES OCC1N(S(c2ccc(cc2)C)(=O)=O)CC=C(C1)Sc1ccccc1
SPLASH splash10-0006-9678000000-f577cbb3ac75542c1f69
Source of Spectrum F-67-5399-13
Wiley ID 1687070