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Benzenepropanoic acid, .alpha.-[(benzo[b]benzofuran-2-ylsulfonyl)amino]-4-fluoro-
SpectraBase Compound ID 8bhKOh2iU9x
InChI InChI=1S/C21H16FNO5S/c22-14-7-5-13(6-8-14)11-18(21(24)25)23-29(26,27)15-9-10-20-17(12-15)16-3-1-2-4-19(16)28-20/h1-10,12,18,23H,11H2,(H,24,25)
InChIKey SJPXJSANXSAHSU-UHFFFAOYSA-N
Mol Weight 413.42 g/mol
Molecular Formula C21H16FNO5S
Exact Mass 413.073322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AksKImx4UjY
Name Benzenepropanoic acid, .alpha.-[(benzo[b]benzofuran-2-ylsulfonyl)amino]-4-fluoro-
Alternate Name(s) 2-(2-Dibenzofuranylsulfonylamino)-3-(4-fluorophenyl)propanoic acid 2-(dibenzofuran-2-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16FNO5S
InChI InChI=1S/C21H16FNO5S/c22-14-7-5-13(6-8-14)11-18(21(24)25)23-29(26,27)15-9-10-20-17(12-15)16-3-1-2-4-19(16)28-20/h1-10,12,18,23H,11H2,(H,24,25)
InChIKey SJPXJSANXSAHSU-UHFFFAOYSA-N
Molecular Weight 413.419 g/mol
SMILES OC(C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)c1c(o2)cccc1)=O
SPLASH splash10-05o9-2930000000-e4ddbdc24d19c20def38
Source of Spectrum IY-1-4510-6
Wiley ID 1653089