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5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
SpectraBase Compound ID EpRxZukBBtv
InChI InChI=1S/C17H17ClO6/c1-17(2,18)11(19)8-23-13-9-4-5-12(20)24-15(9)16(21-3)14-10(13)6-7-22-14/h4-7,11,19H,8H2,1-3H3
InChIKey FLTPZMNZFNPZAZ-UHFFFAOYSA-N
Mol Weight 352.77 g/mol
Molecular Formula C17H17ClO6
Exact Mass 352.071366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVhZHOSvd1W
Name 5-O-(3-CHLORO-2-HYDROXY-3-METHYLBUTYL)-8-METHOXY-PSORALEN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17ClO6
InChI InChI=1S/C17H17ClO6/c1-17(2,18)11(19)8-23-13-9-4-5-12(20)24-15(9)16(21-3)14-10(13)6-7-22-14/h4-7,11,19H,8H2,1-3H3
InChIKey FLTPZMNZFNPZAZ-UHFFFAOYSA-N
Literature Reference Author H.DUAN,Y.TAKAISHI,Y.FUJIMOTO,V.GARZON,C.OSORIO,C.DUQUE
Literature Reference Citation CHEM.PHARM.BULL.,50,115(2002)
Literature Reference DOI 10.1248/cpb.50.115
Molecular Weight 352.771 g/mol
Solvent CDCl3
Source File Reference UWVN7830