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Dihexyl 6-(ethynylazulene)-1,3-dicarboxylate
SpectraBase Compound ID 3Pi1AkCeIJh
InChI InChI=1S/C26H32O4/c1-4-7-9-11-17-29-25(27)23-19-24(26(28)30-18-12-10-8-5-2)22-16-14-20(6-3)13-15-21(22)23/h3,13-16,19H,4-5,7-12,17-18H2,1-2H3
InChIKey KSUIWIRTCSOZRV-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLSpuoz962Y
Name DIHEXYL-6-ETHYNYLAZULENE-1,3-DICARBOXYLATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-4-7-9-11-17-29-25(27)23-19-24(26(28)30-18-12-10-8-5-2)22-16-14-20(6-3)13-15-21(22)23/h3,13-16,19H,4-5,7-12,17-18H2,1-2H3
InChIKey KSUIWIRTCSOZRV-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,N.MORITA,K.OHTA,T.KITAMURA,K.IMAFUKU
Literature Reference Citation J.AM.CHEM.SOC.,125,1669(2003)
Literature Reference DOI 10.1021/ja0209262
Molecular Weight 408.538 g/mol
Sample ID 40471
Solvent CDCl3