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REWUVRKXXYFORK-UHFFFAOYSA-N
SpectraBase Compound ID F8xg1Pd7P8E
InChI InChI=1S/C14H10O6/c1-7(15)19-14-12-9(5-6-18-12)11(17-2)8-3-4-10(16)20-13(8)14/h3-6H,1-2H3
InChIKey REWUVRKXXYFORK-UHFFFAOYSA-N
Mol Weight 274.23 g/mol
Molecular Formula C14H10O6
Exact Mass 274.047738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C255pyqJ3xF
Name 8-Acetoxy-5-methoxy-psoralin
CAS Registry Number 49739-61-9
Comments FROM MITRA,SHIFTS ADDED FOR ACETOXY
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H10O6
InChI InChI=1S/C14H10O6/c1-7(15)19-14-12-9(5-6-18-12)11(17-2)8-3-4-10(16)20-13(8)14/h3-6H,1-2H3
InChIKey REWUVRKXXYFORK-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