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Piperonal, azine with benzil

View entire compound with spectra: 2 NMR

Piperonal, azine with benzil
SpectraBase Compound ID npPkdQLhn1
InChI InChI=1S/C22H16N2O3/c25-22(18-9-5-2-6-10-18)21(17-7-3-1-4-8-17)24-23-14-16-11-12-19-20(13-16)27-15-26-19/h1-14H,15H2/b23-14+,24-21+
InChIKey OAZCDDWGLLBVMQ-LGLHSBMDSA-N
Mol Weight 356.38 g/mol
Molecular Formula C22H16N2O3
Exact Mass 356.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlZvScUL0V2
Name Piperonal, azine with benzil
Comments Computed using HOSE algorithm
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Exact Mass 356.116092380 u
Formula C22H16N2O3
InChI InChI=1S/C22H16N2O3/c25-22(18-9-5-2-6-10-18)21(17-7-3-1-4-8-17)24-23-14-16-11-12-19-20(13-16)27-15-26-19/h1-14H,15H2/b23-14+,24-21+
InChIKey OAZCDDWGLLBVMQ-LGLHSBMDSA-N
Molecular Weight 356.381 g/mol
SMILES C=1C(=CC=C2OCOC12)\C=N\N=C\(C(C=1C=CC=CC1)=O)C=1C=CC=CC1