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2-(2-Amino-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2-Amino-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester
SpectraBase Compound ID J3tWL46UEyo
InChI InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)
InChIKey RXFFHJBWYLTWML-UHFFFAOYSA-N
Mol Weight 320.29 g/mol
Molecular Formula C12H11F3N2O3S
Exact Mass 320.044248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9upjiswXziH
Name 6-benzothiazoleacetic acid, 2-amino-alpha-hydroxy-alpha-(trifluoromethyl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.044247882 u
Formula C12H11F3N2O3S
InChI InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)
InChIKey RXFFHJBWYLTWML-UHFFFAOYSA-N
Molecular Weight 320.286 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17650
Solvent DMSO-d6
Source Vendor ID: NMR/11241903; Lab Info: AU; Lab Number: AU-ME00704