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alanine, N-(2-chlorobenzoyl)-2-[(4-cyclopropyl-2-thiazolyl)amino]-3,3,3-trifluoro-, methyl ester
SpectraBase Compound ID HlhEVIjJTnk
InChI InChI=1S/C17H15ClF3N3O3S/c1-27-14(26)16(17(19,20)21,23-13(25)10-4-2-3-5-11(10)18)24-15-22-12(8-28-15)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKey QXVUNTWLMSNBLL-UHFFFAOYSA-N
Mol Weight 433.83 g/mol
Molecular Formula C17H15ClF3N3O3S
Exact Mass 433.047475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5X5HUtYOdO
Name alanine, N-(2-chlorobenzoyl)-2-[(4-cyclopropyl-2-thiazolyl)amino]-3,3,3-trifluoro-, 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 433.047474715 u
Formula C17H15ClF3N3O3S
InChI InChI=1S/C17H15ClF3N3O3S/c1-27-14(26)16(17(19,20)21,23-13(25)10-4-2-3-5-11(10)18)24-15-22-12(8-28-15)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKey QXVUNTWLMSNBLL-UHFFFAOYSA-N
Molecular Weight 433.833 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12206
Solvent DMSO-d6
Source Vendor ID: NMR/10260701; Lab Info: AU; Lab Number: AU-0000028