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trans-6-(3-Chloropropyl)-5-methyl-4-(phenylthio)-5-(tosylamino)-5,6-dihydropyran-2-one
SpectraBase Compound ID LYodAR99wEJ
InChI InChI=1S/C22H24ClNO4S2/c1-16-10-12-18(13-11-16)30(26,27)24-22(2)19(9-6-14-23)28-21(25)15-20(22)29-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19,24H,6,9,14H2,1-2H3/t19-,22-/m1/s1
InChIKey AMMNXGHPKCWOFA-DENIHFKCSA-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 7xmHdminTXF
Name trans-6-(3-Chloropropyl)-5-methyl-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(2)19(9-6-14-23)28-21(25)15-20(22)29-17-7-4-3-5-8-17/h3-5,7-8,10-13,15,19,24H,6,9,14H2,1-2H3/t19-,22-/m1/s1
InChIKey AMMNXGHPKCWOFA-DENIHFKCSA-N
Molecular Weight 466.010 g/mol
SMILES N([C@]1(C(=CC(O[C@@]1(CCCCl)[H])=O)Sc1ccccc1)C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0ue0-2790000000-6cdd2543b748b250204a
Source of Spectrum F-70-1852-6e
Synonyms N-((2R,3R)-2-(3-chloropropyl)-3-methyl-6-oxo-4-(phenylthio)-3,6-dihydro-2H-pyran-3-yl)-4-methylbenzenesulfonamide
Wiley ID 1742664