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alanine, 3,3,3-trifluoro-N-(2-methoxybenzoyl)-2-[(4-methyl-2-thiazolyl)amino]-, methyl ester
SpectraBase Compound ID LxgD94KVrQT
InChI InChI=1S/C16H16F3N3O4S/c1-9-8-27-14(20-9)22-15(13(24)26-3,16(17,18)19)21-12(23)10-6-4-5-7-11(10)25-2/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKey UKUZTEUJWUMKOE-UHFFFAOYSA-N
Mol Weight 403.38 g/mol
Molecular Formula C16H16F3N3O4S
Exact Mass 403.081362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FuqBtqQOTAX
Name alanine, 3,3,3-trifluoro-N-(2-methoxybenzoyl)-2-[(4-methyl-2-thiazolyl)amino]-, methyl 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 403.081361666 u
Formula C16H16F3N3O4S
InChI InChI=1S/C16H16F3N3O4S/c1-9-8-27-14(20-9)22-15(13(24)26-3,16(17,18)19)21-12(23)10-6-4-5-7-11(10)25-2/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKey UKUZTEUJWUMKOE-UHFFFAOYSA-N
Molecular Weight 403.376 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15089
Solvent DMSO-d6
Source Vendor ID: NMR/10321909; Lab Info: AU; Lab Number: AU-CG00233