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Benzenepropanoic acid, .alpha.-[[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino]-4-fluoro-
SpectraBase Compound ID CAyJETlxjJE
InChI InChI=1S/C19H19FN2O5S/c1-12(23)22-9-8-14-11-16(6-7-18(14)22)28(26,27)21-17(19(24)25)10-13-2-4-15(20)5-3-13/h2-7,11,17,21H,8-10H2,1H3,(H,24,25)
InChIKey WKHMPNQICIBNJR-UHFFFAOYSA-N
Mol Weight 406.43 g/mol
Molecular Formula C19H19FN2O5S
Exact Mass 406.099871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2514qqlx96
Name Benzenepropanoic acid, .alpha.-[[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino]-4-fluoro-
Alternate Name(s) 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid 2-[(1-acetylindolin-5-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid 2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19FN2O5S
InChI InChI=1S/C19H19FN2O5S/c1-12(23)22-9-8-14-11-16(6-7-18(14)22)28(26,27)21-17(19(24)25)10-13-2-4-15(20)5-3-13/h2-7,11,17,21H,8-10H2,1H3,(H,24,25)
InChIKey WKHMPNQICIBNJR-UHFFFAOYSA-N
Molecular Weight 406.428 g/mol
SMILES OC(C(Cc1ccc(F)cc1)NS(=O)(=O)c1cc2c(cc1)N(CC2)C(=O)C)=O
SPLASH splash10-07or-4930000000-b55e2d5d330bd540f051
Source of Spectrum IY-1-4510-4
Wiley ID 1653087