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trans-6-(4-Chlorobutyl)-4-(phenylthio)-5-(tosylamino)-5,6-dihydropyran-2-one
SpectraBase Compound ID ET0ImhVB6ql
InChI InChI=1S/C22H24ClNO4S2/c1-16-10-12-18(13-11-16)30(26,27)24-22-19(9-5-6-14-23)28-21(25)15-20(22)29-17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19,22,24H,5-6,9,14H2,1H3/t19-,22-/m0/s1
InChIKey FSGBNJMUDNYTIH-UGKGYDQZSA-N
Mol Weight 466.01 g/mol
Molecular Formula C22H24ClNO4S2
Exact Mass 465.083528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq3zVWeCxf0
Name trans-6-(4-Chlorobutyl)-4-(phenylthio)-5-(tosylamino)-5,6-dihydropyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClNO4S2
InChI InChI=1S/C22H24ClNO4S2/c1-16-10-12-18(13-11-16)30(26,27)24-22-19(9-5-6-14-23)28-21(25)15-20(22)29-17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19,22,24H,5-6,9,14H2,1H3/t19-,22-/m0/s1
InChIKey FSGBNJMUDNYTIH-UGKGYDQZSA-N
Molecular Weight 466.010 g/mol
SMILES N([C@@]1(C(=CC(O[C@]1(CCCCCl)[H])=O)Sc1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-8900000000-a0df804edcde18fd7c4b
Source of Spectrum F-70-1852-6d
Synonyms N-((2S,3S)-2-(4-chlorobutyl)-6-oxo-4-(phenylthio)-3,6-dihydro-2H-pyran-3-yl)-4-methylbenzenesulfonamide
Wiley ID 1742679