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6-(3-Choloropropyl)-1-tosyl-4-(phenylthio)-1,2,5,6-tetrahydro-2-pyridinone
SpectraBase Compound ID E7gE3Ck6pE
InChI InChI=1S/C21H22ClNO3S2/c1-16-9-11-20(12-10-16)28(25,26)23-17(6-5-13-22)14-19(15-21(23)24)27-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3
InChIKey CLIWRLDVAYNZCC-UHFFFAOYSA-N
Mol Weight 435.98 g/mol
Molecular Formula C21H22ClNO3S2
Exact Mass 435.072964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C562n89OMna
Name 6-(3-Choloropropyl)-1-tosyl-4-(phenylthio)-1,2,5,6-tetrahydro-2-pyridinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO3S2
InChI InChI=1S/C21H22ClNO3S2/c1-16-9-11-20(12-10-16)28(25,26)23-17(6-5-13-22)14-19(15-21(23)24)27-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3
InChIKey CLIWRLDVAYNZCC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo102092b
Molecular Weight 435.984 g/mol
SMILES C1C(CCCCl)N(S(=O)(=O)c2ccc(cc2)C)C(=O)C=C1Sc1ccccc1
SPLASH splash10-0006-3090000000-c8034bca553cbe2396e2
Source of Spectrum J-76-692/SMS2-2a
Synonyms 6-(3-Chloropropyl)-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
Wiley ID 1751864