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2-Acetylamino-3,3,3-trifluoro-2-(6-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester

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2-Acetylamino-3,3,3-trifluoro-2-(6-methyl-benzothiazol-2-ylamino)-propionic acid methyl ester
SpectraBase Compound ID JdzqGh9NIbs
InChI InChI=1S/C14H14F3N3O3S/c1-7-4-5-9-10(6-7)24-12(18-9)20-13(11(22)23-3,14(15,16)17)19-8(2)21/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey CMEKODSTGXFTTR-UHFFFAOYSA-N
Mol Weight 361.34 g/mol
Molecular Formula C14H14F3N3O3S
Exact Mass 361.070797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DA4REFti97c
Name methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(6-methyl-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/C14H14F3N3O3S/c1-7-4-5-9-10(6-7)24-12(18-9)20-13(11(22)23-3,14(15,16)17)19-8(2)21/h4-6H,1-3H3,(H,18,20)(H,19,21)
InChIKey CMEKODSTGXFTTR-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_417
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: C27078; Labnumber: SOK-0995; SBI_ID: SBI-000419
Temperature 308 °C