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Bergapten

View entire compound with spectra: 1 NMR

Bergapten
SpectraBase Compound ID LNUKkiUjZmT
InChI InChI=1S/C24H16O8/c1-27-21-9-3-5-29-11(9)7-13-15(21)17-18-16-14(8-12-10(4-6-30-12)22(16)28-2)32-24(26)20(18)19(17)23(25)31-13/h3-8,17-20H,1-2H3/t17-,18+,19-,20+
InChIKey CCLGJTQMQHAJLX-FGYAAKKASA-N
Mol Weight 432.38 g/mol
Molecular Formula C24H16O8
Exact Mass 432.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuSj3fgQoJs
Name BERGAPTEN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H16O8
InChI InChI=1S/C24H16O8/c1-27-21-9-3-5-29-11(9)7-13-15(21)17-18-16-14(8-12-10(4-6-30-12)22(16)28-2)32-24(26)20(18)19(17)23(25)31-13/h3-8,17-20H,1-2H3/t17-,18+,19-,20+
InChIKey CCLGJTQMQHAJLX-FGYAAKKASA-N
Literature Reference Author S.ROJAS-LIMA,R.L.SANTILLAN,M.A.DOMINGUEZ,A.GUTIERREZ
Literature Reference Citation PHYTOCHEM.,50,863(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00520-2
Molecular Weight 432.386 g/mol
Solvent DMSO-D6
Source File Reference UWVN1473