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3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester

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3,3,3-Trifluoro-2-(4-fluoro-benzoylamino)-2-(6-nitro-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID B7rGVSaZFZB
InChI InChI=1S/C18H12F4N4O5S/c1-31-15(28)17(18(20,21)22,24-14(27)9-2-4-10(19)5-3-9)25-16-23-12-7-6-11(26(29)30)8-13(12)32-16/h2-8H,1H3,(H,23,25)(H,24,27)
InChIKey BMYFLUKWOYNMQI-UHFFFAOYSA-N
Mol Weight 472.37 g/mol
Molecular Formula C18H12F4N4O5S
Exact Mass 472.046453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3J5wl1BhdYA
Name methyl 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propanoate
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/C18H12F4N4O5S/c1-31-15(28)17(18(20,21)22,24-14(27)9-2-4-10(19)5-3-9)25-16-23-12-7-6-11(26(29)30)8-13(12)32-16/h2-8H,1H3,(H,23,25)(H,24,27)
InChIKey BMYFLUKWOYNMQI-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_475
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: C27192; Labnumber: SOK-1131; SBI_ID: SBI-000477
Temperature 308 °C