John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2p5IwpEs5jN SpectraBase Spectrum ID=JIFVIeFvkI4

(accessed ).
Benzoic acid, 4-fluoro-, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl ester
SpectraBase Compound ID 2p5IwpEs5jN
InChI InChI=1S/C23H12FNO4S/c24-15-8-5-13(6-9-15)22(26)28-16-10-7-14-11-17(23(27)29-19(14)12-16)21-25-18-3-1-2-4-20(18)30-21/h1-12H
InChIKey DLQQTSXVGUPRQS-UHFFFAOYSA-N
Mol Weight 417.41 g/mol
Molecular Formula C23H12FNO4S
Exact Mass 417.047108 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID JIFVIeFvkI4
Name Benzoic acid, 4-fluoro-, 3-(1,3-benzothiazol-2-yl)-2-oxo-2H-1-benzopyran-7-yl ester
Alternate Name(s) 4-Fluorobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl] ester [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] 4-fluorobenzoate [3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl] 4-fluorobenzoate [3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl] 4-fluoranylbenzoate
Classification Coumarins and derivatives
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Formula C23H12FNO4S
InChI InChI=1S/C23H12FNO4S/c24-15-8-5-13(6-9-15)22(26)28-16-10-7-14-11-17(23(27)29-19(14)12-16)21-25-18-3-1-2-4-20(18)30-21/h1-12H
InChIKey DLQQTSXVGUPRQS-UHFFFAOYSA-N
SPLASH splash10-00di-3910000000-cd70cf0bea7fc1c6e983
Source of Spectrum IY-1-4656-9
SpectraBase Batch ID DvnleqtUd4t