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Naphthacene, 1,2,3,4-tetrahydro-6,11-bis(phenylethynyl)-
SpectraBase Compound ID 6mOq2OduvYe
InChI InChI=1S/C34H24/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-6,9-14,17-18,23-24H,7-8,15-16H2
InChIKey DCHVEOXKKSEMKG-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C34H24
Exact Mass 432.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgYnWElPiYP
Name Naphthacene, 1,2,3,4-tetrahydro-6,11-bis(phenylethynyl)-
Comments Computed using HOSE algorithm
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Exact Mass 432.187800773 u
Formula C34H24
InChI InChI=1S/C34H24/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-6,9-14,17-18,23-24H,7-8,15-16H2
InChIKey DCHVEOXKKSEMKG-UHFFFAOYSA-N
Molecular Weight 432.566 g/mol
SMILES C=12C(=C(C#CC3=CC=CC=C3)C=3C(C1C#CC=1C=CC=CC1)=CC=CC3)C=C1C(=C2)CCCC1