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Xanthotoxin

View entire compound with spectra: 24 NMR, 6 FTIR, 2 Raman, 1 UV-Vis, and 13 MS (GC)

Xanthotoxin
SpectraBase Compound ID 4oKGjGfjICN
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Mol Weight 216.19 g/mol
Molecular Formula C12H8O4
Exact Mass 216.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tCWiKDu6Qc
Name Xanthotoxin
CAS Registry Number 298-81-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8O4
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Literature Reference F.A. Macias, G.M. Massanet, F. Rodriguez-Luis, Magn. Res. Chem. 28, 219 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported