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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester

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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-propionylamino-propionic acid methyl ester
SpectraBase Compound ID 7llzkQJbUOx
InChI InChI=1S/C14H13F4N3O3S/c1-3-10(22)20-13(11(23)24-2,14(16,17)18)21-12-19-8-5-4-7(15)6-9(8)25-12/h4-6H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKey SGLTVTDKXOXIPA-UHFFFAOYSA-N
Mol Weight 379.33 g/mol
Molecular Formula C14H13F4N3O3S
Exact Mass 379.061375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8I6TerNJvSb
Name methyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(propionylamino)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/C14H13F4N3O3S/c1-3-10(22)20-13(11(23)24-2,14(16,17)18)21-12-19-8-5-4-7(15)6-9(8)25-12/h4-6H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKey SGLTVTDKXOXIPA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_454
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: C27165; Labnumber: SOK-1091; SBI_ID: SBI-000456
Temperature 308 °C