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1-(4-Sulphophenyl)-3-methyl-4-benzylidenepyrazol-5-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Sulphophenyl)-3-methyl-4-benzylidenepyrazol-5-one
SpectraBase Compound ID 6fyYRV3cOxe
InChI InChI=1S/C17H14N2O4S/c1-12-16(11-13-5-3-2-4-6-13)17(20)19(18-12)14-7-9-15(10-8-14)24(21,22)23/h2-11H,1H3,(H,21,22,23)/b16-11+
InChIKey PRVKSFWQHTYXEG-LFIBNONCSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5usyJQIkvww
Name 1-(4-Sulphophenyl)-3-methyl-4-benzylidenepyrazol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.067428109 u
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c1-12-16(11-13-5-3-2-4-6-13)17(20)19(18-12)14-7-9-15(10-8-14)24(21,22)23/h2-11H,1H3,(H,21,22,23)/b16-11+
InChIKey PRVKSFWQHTYXEG-LFIBNONCSA-N
Molecular Weight 342.369 g/mol
SMILES C1(\C(C(=NN1C=1C=CC(S(=O)(=O)O)=CC1)C)=C\C1=CC=CC=C1)=O