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vhf - 1 (Vinylheptafulvene chromophore)
SpectraBase Compound ID 18UwETD3A8l
InChI InChI=1S/C32H20N2/c33-21-28(22-34)31(19-23-9-3-1-2-4-10-23)24-15-17-25(18-16-24)32-29-13-7-5-11-26(29)20-27-12-6-8-14-30(27)32/h1-20H
InChIKey KEGPAHFKJSNVKB-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C32H20N2
Exact Mass 432.162649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IALMQWuyVXu
Name vhf - 1 (Vinylheptafulvene chromophore)
Comments Computed using HOSE algorithm
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Exact Mass 432.162648652 u
Formula C32H20N2
InChI InChI=1S/C32H20N2/c33-21-28(22-34)31(19-23-9-3-1-2-4-10-23)24-15-17-25(18-16-24)32-29-13-7-5-11-26(29)20-27-12-6-8-14-30(27)32/h1-20H
InChIKey KEGPAHFKJSNVKB-UHFFFAOYSA-N
Molecular Weight 432.526 g/mol
SMILES C(=C(C#N)C#N)(C=C1C=CC=CC=C1)C1=CC=C(C=2C=3C(=CC=CC3)C=C3C2C=CC=C3)C=C1