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4'-(chloromethyl)trioxsalen
SpectraBase Compound ID Cn3jl0Ak80z
InChI InChI=1S/C15H13ClO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6H2,1-3H3
InChIKey DKFOVSBANNNBPG-UHFFFAOYSA-N
Mol Weight 276.72 g/mol
Molecular Formula C15H13ClO3
Exact Mass 276.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVtg4NwRRYZ
Name 4'-(chloromethyl)trioxsalen
Comments Less than 3 mono-isotopic peaks
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Formula C15H13ClO3
InChI InChI=1S/C15H13ClO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6H2,1-3H3
InChIKey DKFOVSBANNNBPG-UHFFFAOYSA-N
Molecular Weight 276.719 g/mol
SMILES c12c(c(CCl)c(o2)C)cc2C(=CC(Oc2c1C)=O)C
SPLASH splash10-002f-0090000000-cb7c714673e13492d893
Source of Spectrum F4-40-3437-14
Synonyms 3-(chloromethyl)-2,5,9-trimethyl-7-furo[3,2-g][1]benzopyranone 3-(chloromethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Wiley ID 1671184