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1-{[4'-(2"-(5"'-Methyl-3"'-isoxazolcarboxamido)ethyl)phenyl]sulfonyl}-3,3-hexamethylene-triazene
SpectraBase Compound ID 9eFWNQSPOcV
InChI InChI=1S/C19H25N5O4S/c1-15-14-18(21-28-15)19(25)20-11-10-16-6-8-17(9-7-16)29(26,27)23-22-24-12-4-2-3-5-13-24/h6-9,14H,2-5,10-13H2,1H3,(H,20,25)/b23-22-
InChIKey XVIYVSPXUUQKRP-FCQUAONHSA-N
Mol Weight 419.5 g/mol
Molecular Formula C19H25N5O4S
Exact Mass 419.162725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azad0ytxWvQ
Name 1-{[4'-(2"-(5"'-Methyl-3"'-isoxazolcarboxamido)ethyl)phenyl]sulfonyl}-3,3-hexamethylene-triazene
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Formula C19H25N5O4S
InChI InChI=1S/C19H25N5O4S/c1-15-14-18(21-28-15)19(25)20-11-10-16-6-8-17(9-7-16)29(26,27)23-22-24-12-4-2-3-5-13-24/h6-9,14H,2-5,10-13H2,1H3,(H,20,25)/b23-22-
InChIKey XVIYVSPXUUQKRP-FCQUAONHSA-N
Molecular Weight 419.500 g/mol
SMILES N(C(c1noc(c1)C)=O)CCc1ccc(S(\N=N/N2CCCCCC2)(=O)=O)cc1
SPLASH splash10-000t-9250000000-1a74f74e1a52dd34b912
Source of Spectrum D8-326-927-3
Synonyms N-[2-(4-{[(Z)-hexahydro-1H-azepin-1-yldiazenyl]sulfonyl}phenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
Wiley ID 1514965