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Acetic acid, [[[[(4-methylphenyl)sulfonyl]amino]acetyl]amino]-, 2-cyclopentylidenehydrazide
SpectraBase Compound ID GafI8dLUgEN
InChI InChI=1S/C16H22N4O4S/c1-12-6-8-14(9-7-12)25(23,24)18-11-15(21)17-10-16(22)20-19-13-4-2-3-5-13/h6-9,18H,2-5,10-11H2,1H3,(H,17,21)(H,20,22)
InChIKey GQTGPHGPVOSHPW-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C16H22N4O4S
Exact Mass 366.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5L4YVIpNxip
Name Acetic acid, [[[[(4-methylphenyl)sulfonyl]amino]acetyl]amino]-, 2-cyclopentylidenehydrazide
Comments Computed using HOSE algorithm
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Exact Mass 366.136176374 u
Formula C16H22N4O4S
InChI InChI=1S/C16H22N4O4S/c1-12-6-8-14(9-7-12)25(23,24)18-11-15(21)17-10-16(22)20-19-13-4-2-3-5-13/h6-9,18H,2-5,10-11H2,1H3,(H,17,21)(H,20,22)
InChIKey GQTGPHGPVOSHPW-UHFFFAOYSA-N
Molecular Weight 366.436 g/mol
SMILES N(N=C1CCCC1)C(CNC(CNS(C=1C=CC(=CC1)C)(=O)=O)=O)=O