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4-Methyl-N-[1-methyl-3-(4-methylphenoxy)carbothioyloxy-butyl]-N-(p-tolylsulfonyl)benzenesulfonamide
SpectraBase Compound ID JcEhHa2kp7Z
InChI InChI=1S/C27H31NO6S3/c1-19-6-12-24(13-7-19)34-27(35)33-23(5)18-22(4)28(36(29,30)25-14-8-20(2)9-15-25)37(31,32)26-16-10-21(3)11-17-26/h6-17,22-23H,18H2,1-5H3
InChIKey UCATUYSAGYMMCA-UHFFFAOYSA-N
Mol Weight 561.73 g/mol
Molecular Formula C27H31NO6S3
Exact Mass 561.131351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3baZXQuHPnf
Name 4-Methyl-N-[1-methyl-3-(4-methylphenoxy)carbothioyloxy-butyl]-N-(p-tolylsulfonyl)benzenesulfonamide
Alternate Name(s) 4-Methyl-N-[1-methyl-3-(4-methylphenoxy)carbothioyloxy-butyl]-N-tosyl-benzenesulfonamide 4-Methyl-N-[4-(4-methylphenoxy)carbothioyloxypentan-2-yl]-N-(4-methylphenyl)sulfonyl-benzenesulfonamide 4-Methyl-N-[4-[(4-methylphenoxy)-sulfanylidenemethoxy]pentan-2-yl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide
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Formula C27H31NO6S3
InChI InChI=1S/C27H31NO6S3/c1-19-6-12-24(13-7-19)34-27(35)33-23(5)18-22(4)28(36(29,30)25-14-8-20(2)9-15-25)37(31,32)26-16-10-21(3)11-17-26/h6-17,22-23H,18H2,1-5H3
InChIKey UCATUYSAGYMMCA-UHFFFAOYSA-N
Molecular Weight 561.726 g/mol
SMILES C(Oc1ccc(cc1)C)(OC(CC(C)N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C)C)=S
SPLASH splash10-0a4i-0911000000-aee196747bd1d2edcd26
Source of Spectrum U1-2002-2754-38
Wiley ID 1522978