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5-Methoxypsoralen

View entire compound with spectra: 41 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 11 MS (GC)

5-Methoxypsoralen
SpectraBase Compound ID WJH5LggWn5
InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKey BGEBZHIAGXMEMV-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 BHVYRsXnhP1
Name Bergapten
CAS Registry Number 484-20-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8O4
InChI InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKey BGEBZHIAGXMEMV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Patra, A.K. Mitra, Org. Magn. Resonance 17, 222 (1981).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3