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Trioxsalen
SpectraBase Compound ID DzVh0KYrFE5
InChI InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QpmThQpyVi
Name 7H-Furo[3,2-g][1]benzopyran-7-one, 2,5,9-trimethyl-
Alternate Name(s) 2,5,9-Trimethyl-7H-furo[3,2-g]chromen-7-one 2',4,8-Trimethylpsoralen 2,5,9-trimethyl-7-furo[3,2-g][1]benzopyranone 2,5,9-Trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one Lactone 2,5,9-trimethylfuro[3,2-g]chromen-7-one 4,5',8-Trimethylpsoralen 4,5',8-Trimethylpsoralene 4,5,8-Trimethylpsoralen 4,8,5'-Trimethylpsoralen 5-Benzofuranacrylic acid, 6-hydroxy-.beta.,2,7-trimethyl-, .delta.-lactone 6-Hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid gamma-lactone 7-Oxo-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyron Trimethylpsoralen Trioxalen Trioxisaleno Trioxsalen Trioxsalin Trioxysalen Trioxysalene Trioxysalenum Trisoralen Trixsalen BRN 0221723 EINECS 223-459-0 Elder 8011
CAS Registry Number 3902-71-4
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Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3
InChIKey FMHHVULEAZTJMA-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES Cc1c2c(cc3c1oc(C)c3)C(C)=CC(=O)O2
SPLASH splash10-0fba-4960000000-68b13aa7a24b41e22e83
Source of Spectrum W6-20135-0-0
Wiley ID 97875