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N,N'-{sulfonylbis[p-phenyleneimino(thiocarbonyl)]}di-beta-alanine

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N,N'-{sulfonylbis[p-phenyleneimino(thiocarbonyl)]}di-beta-alanine
SpectraBase Compound ID 2tRDHEeqNLK
InChI InChI=1S/C20H22N4O6S3/c25-17(26)9-11-21-19(31)23-13-1-5-15(6-2-13)33(29,30)16-7-3-14(4-8-16)24-20(32)22-12-10-18(27)28/h1-8H,9-12H2,(H,25,26)(H,27,28)(H2,21,23,31)(H2,22,24,32)
InChIKey BILNVQQMMGCYBI-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C20H22N4O6S3
Exact Mass 510.070148 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4fIxwdbcW1
Name N,N'-{sulfonylbis[p-phenyleneimino(thiocarbonyl)]}di-beta-alanine
Source of Sample D. Martin, Academy of Sciences, Berlin, Germany
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Formula C22H30N4O6S3
InChI InChI=1S/C20H22N4O6S3/c25-17(26)9-11-21-19(31)23-13-1-5-15(6-2-13)33(29,30)16-7-3-14(4-8-16)24-20(32)22-12-10-18(27)28/h1-8H,9-12H2,(H,25,26)(H,27,28)(H2,21,23,31)(H2,22,24,32)
InChIKey BILNVQQMMGCYBI-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 3118M
Solvent DMSO-d6
Synonyms B-ALANINE, N,NPR-/SULFONYLBIS/P- PHENYLENEIMINO/THIOCARBONYL///DI-,