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6-(n-Butyl)-5-(4-Fluorophenyl)pyrano[2,3,4-de]-1-benzopyran-2-one
SpectraBase Compound ID LdjOFxfQPDO
InChI InChI=1S/C21H17FO3/c1-2-3-5-16-15-6-4-7-17-20(15)18(12-19(23)24-17)25-21(16)13-8-10-14(22)11-9-13/h4,6-12H,2-3,5H2,1H3
InChIKey MVGIGZMMKRHOKT-UHFFFAOYSA-N
Mol Weight 336.36 g/mol
Molecular Formula C21H17FO3
Exact Mass 336.116173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r9UnAddJ30
Name 6-(n-Butyl)-5-(4-Fluorophenyl)pyrano[2,3,4-de]-1-benzopyran-2-one
Alternate Name(s) 6-Butyl-5-(4-fluorophenyl)-2H-pyrano[2,3,4-de]chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17FO3
InChI InChI=1S/C21H17FO3/c1-2-3-5-16-15-6-4-7-17-20(15)18(12-19(23)24-17)25-21(16)13-8-10-14(22)11-9-13/h4,6-12H,2-3,5H2,1H3
InChIKey MVGIGZMMKRHOKT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol301387t
Molecular Weight 336.362 g/mol
SMILES c1c2C(=C(OC3=CC(Oc(cc1)c23)=O)c1ccc(cc1)F)CCCC
SPLASH splash10-000f-1197000000-a80b8c5c46d7479a4009
Source of Spectrum A1-14-3416/SMS16-5am
Wiley ID 1750331