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Chalepensin
SpectraBase Compound ID 9JIOdAwWeMJ
InChI InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKey FYCCCUNGXGKNJV-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vSTFN4w5TM
Name 3-(1,1-Dimethyl-2-propenyl)-psoralin
CAS Registry Number 13164-03-9
Comments REASSIGNED ROM D.BERGENTHAL,ARCH.PHARM.310,390(1977)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKey FYCCCUNGXGKNJV-UHFFFAOYSA-N
Literature Reference M. Elgamal, N. Elewa, Phytochem. 18, 139 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3