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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42ANOSfqLUp
Name 5-Methoxypsoralen
Comments CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000685
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 216.192 g/mol
SMILES COc1c2C=CC(=O)Oc2cc2c1cco2
SPLASH splash10-00y1-3940000000-47019a53ffd65a735d4f
Source of Spectrum FM-2019-685-0
Synonyms Bergapten 5-Methoxypsoralen bergaptene Heraclin Majudin Isopimpinellin 4-Methoxyfuro[3,2-g]chromen-7-one 4-Methoxy-7H-furo[3,2-g]chromen-7-one
Wiley ID 1818363