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3-Chloro-8-hydroxymethyl-4-methyl-7,10-dioxano[3,2-h]coumarin
SpectraBase Compound ID 3wfOAo6iHUn
InChI InChI=1S/C13H11ClO5/c1-6-8-2-3-9-12(17-5-7(4-15)18-9)11(8)19-13(16)10(6)14/h2-3,7,15H,4-5H2,1H3
InChIKey NYFHXUVQAILANM-UHFFFAOYSA-N
Mol Weight 282.68 g/mol
Molecular Formula C13H11ClO5
Exact Mass 282.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADzpElRsM4q
Name 3-Chloro-8-hydroxymethyl-4-methyl-7,10-dioxano[3,2-h]coumarin
Comments Less than 3 mono-isotopic peaks
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Formula C13H11ClO5
InChI InChI=1S/C13H11ClO5/c1-6-8-2-3-9-12(17-5-7(4-15)18-9)11(8)19-13(16)10(6)14/h2-3,7,15H,4-5H2,1H3
InChIKey NYFHXUVQAILANM-UHFFFAOYSA-N
Molecular Weight 282.679 g/mol
SMILES OCC1Oc2c(c3OC(=O)C(=C(c3cc2)C)Cl)OC1
SPLASH splash10-001i-0090000000-49fd31d2e8d5c9f1f7a0
Source of Spectrum Y1-38-472-5
Synonyms 8-chloro-3-(hydroxymethyl)-7-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one 8-chloranyl-3-(hydroxymethyl)-7-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Wiley ID 1527716