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Xanthotoxin

View entire compound with spectra: 24 NMR, 6 FTIR, 2 Raman, 1 UV-Vis, and 13 MS (GC)

Xanthotoxin
SpectraBase Compound ID 4oKGjGfjICN
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-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 DqSEkOYKMJy
Name 7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-
CAS Registry Number 298-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O4
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Molecular Weight 216.192 g/mol
SMILES COc1c2c(cc3c1occ3)C=CC(O2)=O
SPLASH splash10-014i-0490000000-eec934f8da2c1fd43ba8
Source of Spectrum C9-0-25-11
Synonyms 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone 5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, delta-lactone 9-Methoxy-7H-furo[3,2-g]chromen-7-one 6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone 7-Furocoumarin 8-Methoxy-2',3',6,7-furocoumarin 8-Methoxy-4',5':6,7-furocoumarin 8-Methoxy-6,7-furanocoumarin 8-Methoxy-[furano-3'.2':6.7-coumarin] 8-Methoxyfuranocoumarin 8-Methoxypsoralen 8-Methoxypsoralen with ultraviolet A therapy 8-Methoxypsoralene 8-MOP 8-MP 9-Methoxy-7-furo[3,2-g][1]benzopyranone 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one 9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one 9-Methoxyfuro[3,2-g]chromen-7-one 9-Methoxypsoralen Ammodin Ammoidin Geroxalen Meladinin Meladinine Meladoxen Meloxine Methoxa-Dome Methoxalen Methoxaten Methoxsalen Methoxsalen plus ultraviolet radiation Methoxsalen with ultra-violet A theraphy New-Meladinin Oxoralen Oxsoralen Oxsoralen lotion Oxsoralen-ultra Oxypsoralen Proralone-mop Psoralen-mop Psoralon-mop Puvalen Puvamet Uvadex Xanthotoxin Xanthotoxine Zanthotoxin BRN 0196453 CCRIS 2083 EINECS 206-066-9 HSDB 2505 NCI-C55903 NSC 45923
Wiley ID 1215453