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[2.2]Paracyclophane-4-carbaldehyde-p-nitrophenylhydrazone
SpectraBase Compound ID AkhugMLHtiR
InChI InChI=1S/C23H21N3O2/c27-26(28)23-13-11-22(12-14-23)25-24-16-21-15-19-6-5-17-1-3-18(4-2-17)7-9-20(21)10-8-19/h1-4,8,10-16,25H,5-7,9H2/b24-16+
InChIKey RSQHSWZKRCFAOO-LFVJCYFKSA-N
Mol Weight 371.44 g/mol
Molecular Formula C23H21N3O2
Exact Mass 371.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7H6U4ofVzVN
Name [2.2]Paracyclophane-4-carbaldehyde-p-nitrophenylhydrazone
Comments Computed using HOSE algorithm
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Exact Mass 371.163376926 u
Formula C23H21N3O2
InChI InChI=1S/C23H21N3O2/c27-26(28)23-13-11-22(12-14-23)25-24-16-21-15-19-6-5-17-1-3-18(4-2-17)7-9-20(21)10-8-19/h1-4,8,10-16,25H,5-7,9H2/b24-16+
InChIKey RSQHSWZKRCFAOO-LFVJCYFKSA-N
Molecular Weight 371.440 g/mol
SMILES C=1(N(=O)=O)C=CC(N\N=C\C2=C3CCC=4C=CC(CCC(=C2)C=C3)=CC4)=CC1