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5-Acetoxy-4-acetyl-3-(2-thienylcarbonyl)-2-(trifluoromethyl)benzofurane
SpectraBase Compound ID 1ohkMkDGpsw
InChI InChI=1S/C18H11F3O5S/c1-8(22)13-10(25-9(2)23)5-6-11-14(13)15(17(26-11)18(19,20)21)16(24)12-4-3-7-27-12/h3-7H,1-2H3
InChIKey ASIULFBOATTXGQ-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C18H11F3O5S
Exact Mass 396.027929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7gjzHu0IaB
Name 5-Acetoxy-4-acetyl-3-(2-thienylcarbonyl)-2-(trifluoromethyl)benzofurane
Alternate Name(s) 4-Acetyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)benzofuran-5-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F3O5S
InChI InChI=1S/C18H11F3O5S/c1-8(22)13-10(25-9(2)23)5-6-11-14(13)15(17(26-11)18(19,20)21)16(24)12-4-3-7-27-12/h3-7H,1-2H3
InChIKey ASIULFBOATTXGQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19881211024
Molecular Weight 396.336 g/mol
SMILES c1(oc2c(c1C(c1sccc1)=O)c(c(cc2)OC(C)=O)C(=O)C)C(F)(F)F
SPLASH splash10-01ox-9620000000-a44c4a669530084fd061
Source of Spectrum K-121-1844-5b
Wiley ID 1794541