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[({(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetyl)amino]acetic acid
SpectraBase Compound ID 2DYtSTtv1Ut
InChI InChI=1S/C22H20FNO4S/c1-13-18(9-14-3-6-16(7-4-14)29(2)28)17-8-5-15(23)10-20(17)19(13)11-21(25)24-12-22(26)27/h3-10H,11-12H2,1-2H3,(H,24,25)(H,26,27)/b18-9-
InChIKey YHIPTYHDOZQZLO-NVMNQCDNSA-N
Mol Weight 413.46 g/mol
Molecular Formula C22H20FNO4S
Exact Mass 413.109707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IATW0vJAdZ4
Name [({(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetyl)amino]acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H20FNO4S/c1-13-18(9-14-3-6-16(7-4-14)29(2)28)17-8-5-15(23)10-20(17)19(13)11-21(25)24-12-22(26)27/h3-10H,11-12H2,1-2H3,(H,24,25)(H,26,27)/b18-9-
InChIKey YHIPTYHDOZQZLO-NVMNQCDNSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36019
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E98329; SBI_ID: SBI-036023
Synonyms [({5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetyl)amino]acetic acid
Temperature 308 °C