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N-Phenyl-8-((p-tolylsulfonyl)hydrazono)-4,5-diazatricyclo[4.3.0.0]-nonan-4,5-dicarboximide
SpectraBase Compound ID KjS3PF3NwTH
InChI InChI=1S/C22H21N5O4S/c1-13-7-9-16(10-8-13)32(30,31)24-23-20-14-11-17-19(20)18(12-14)27-22(29)25(21(28)26(17)27)15-5-3-2-4-6-15/h2-10,14,17-19,24H,11-12H2,1H3/b23-20+/t14-,17-,18+,19+
InChIKey SWYKVPGHBXIYHH-MPCLOWAHSA-N
Mol Weight 451.5 g/mol
Molecular Formula C22H21N5O4S
Exact Mass 451.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1JMAEbenIG
Name N-Phenyl-8-((p-tolylsulfonyl)hydrazono)-4,5-diazatricyclo[4.3.0.0]-nonan-4,5-dicarboximide
CAS Registry Number 96227-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O4S
InChI InChI=1S/C22H21N5O4S/c1-13-7-9-16(10-8-13)32(30,31)24-23-20-14-11-17-19(20)18(12-14)27-22(29)25(21(28)26(17)27)15-5-3-2-4-6-15/h2-10,14,17-19,24H,11-12H2,1H3/b23-20+/t14-,17-,18+,19+
InChIKey SWYKVPGHBXIYHH-MPCLOWAHSA-N
Molecular Weight 451.501 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1[C@]2([C@@]3(N4N(C(=O)N(C4=O)c4ccccc4)[C@]2(C[C@]1(C3)[H])[H])[H])[H]
SPLASH splash10-014l-9410000000-65dbdb59c372f9f51dba
Source of Spectrum C-107-3688-0
Synonyms N'-[(10E)-3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[7.2.1.0(2,6).0(7,11)]dodec-10-ylidene]-4-methylbenzenesulfonohydrazide
Wiley ID 1387938