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1-[N-(Carbobenzoxy)glycyl]-2-p-chlorobenzenesulfonylhydrazine
SpectraBase Compound ID IEcOThnDGrv
InChI InChI=1S/C16H16ClN3O5S/c17-13-6-8-14(9-7-13)26(23,24)20-19-15(21)10-18-16(22)25-11-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,18,22)(H,19,21)
InChIKey BJLWDGPUYHEMBR-UHFFFAOYSA-N
Mol Weight 397.83 g/mol
Molecular Formula C16H16ClN3O5S
Exact Mass 397.049919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGFHOguf6VF
Name 1-[N-(Carbobenzoxy)glycyl]-2-p-chlorobenzenesulfonylhydrazine
Comments Computed using HOSE algorithm
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Exact Mass 397.049919496 u
Formula C16H16ClN3O5S
InChI InChI=1S/C16H16ClN3O5S/c17-13-6-8-14(9-7-13)26(23,24)20-19-15(21)10-18-16(22)25-11-12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,18,22)(H,19,21)
InChIKey BJLWDGPUYHEMBR-UHFFFAOYSA-N
Molecular Weight 397.833 g/mol
SMILES C1=CC=CC=C1COC(=O)NCC(=O)NNS(=O)(=O)C1=CC=C(Cl)C=C1