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methyl 2-(acetylamino)-3,3,3-trifluoro-2-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}propanoate
SpectraBase Compound ID 34hWUU3rBm7
InChI InChI=1S/C14H14F3N3O5S2/c1-7(21)19-13(11(22)25-2,14(15,16)17)20-12-18-9-5-4-8(27(3,23)24)6-10(9)26-12/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey HWCLMJPDYGVVLV-UHFFFAOYSA-N
Mol Weight 425.4 g/mol
Molecular Formula C14H14F3N3O5S2
Exact Mass 425.032697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eC1zpBzp3A
Name methyl 2-(acetylamino)-3,3,3-trifluoro-2-{[6-(methylsulfonyl)-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/C14H14F3N3O5S2/c1-7(21)19-13(11(22)25-2,14(15,16)17)20-12-18-9-5-4-8(27(3,23)24)6-10(9)26-12/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey HWCLMJPDYGVVLV-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_391
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: C27049; Labnumber: SOK-0966; SBI_ID: SBI-000393
Temperature 308 °C