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1,2,3-Tris(p-tolylsulfonyl)guanidine

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2,3-Tris(p-tolylsulfonyl)guanidine
SpectraBase Compound ID E2EHztkAkzQ
InChI InChI=1S/C22H23N3O6S3/c1-16-4-10-19(11-5-16)32(26,27)23-22(24-33(28,29)20-12-6-17(2)7-13-20)25-34(30,31)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H2,23,24,25)
InChIKey VQKRQZNGXDWSEY-UHFFFAOYSA-N
Mol Weight 521.62 g/mol
Molecular Formula C22H23N3O6S3
Exact Mass 521.074899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UBERwgUd1p
Name 1,2,3-Tris(p-tolylsulfonyl)guanidine
Comments Computed using HOSE algorithm
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Exact Mass 521.074898989 u
Formula C22H23N3O6S3
InChI InChI=1S/C22H23N3O6S3/c1-16-4-10-19(11-5-16)32(26,27)23-22(24-33(28,29)20-12-6-17(2)7-13-20)25-34(30,31)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H2,23,24,25)
InChIKey VQKRQZNGXDWSEY-UHFFFAOYSA-N
Molecular Weight 521.621 g/mol
SMILES N(S(C1=CC=C(C)C=C1)(=O)=O)C(=NS(C=1C=CC(C)=CC1)(=O)=O)NS(C1=CC=C(C)C=C1)(=O)=O