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3-(4-Methoxyphenyl)sydnon-4-ylaldehyde 5-(4-methoxyphenyl)-2-phenylcarbazone
SpectraBase Compound ID B1d9P5qXE5I
InChI InChI=1S/C24H22N6O5/c1-33-20-12-8-17(9-13-20)26-27-24(32)30(18-6-4-3-5-7-18)25-16-22-23(31)35-28-29(22)19-10-14-21(34-2)15-11-19/h3-16,28H,1-2H3,(H,25,31)
InChIKey GCVXWJAMWNKDQL-UHFFFAOYSA-N
Mol Weight 474.48 g/mol
Molecular Formula C24H22N6O5
Exact Mass 474.165168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Xjcaog3cGS
Name 3-(4-Methoxyphenyl)sydnon-4-ylaldehyde 5-(4-methoxyphenyl)-2-phenylcarbazone
Comments Computed using HOSE algorithm
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Exact Mass 474.165167827 u
Formula C24H22N6O5
InChI InChI=1S/C24H22N6O5/c1-33-20-12-8-17(9-13-20)26-27-24(32)30(18-6-4-3-5-7-18)25-16-22-23(31)35-28-29(22)19-10-14-21(34-2)15-11-19/h3-16,28H,1-2H3,(H,25,31)
InChIKey GCVXWJAMWNKDQL-UHFFFAOYSA-N
Molecular Weight 474.477 g/mol
SMILES C=1(ON=[N+](C1\C=N\N(C(=O)NNC1=CC=C(C=C1)OC)C1=CC=CC=C1)C1=CC=C(C=C1)OC)[O-]