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2-(4,5-Dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-pentanoylamino-propionic acid ethyl ester

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2-(4,5-Dimethyl-benzothiazol-2-ylamino)-3,3,3-trifluoro-2-pentanoylamino-propionic acid ethyl ester
SpectraBase Compound ID JeAIgoqKUfX
InChI InChI=1S/C19H24F3N3O3S/c1-5-7-8-14(26)24-18(19(20,21)22,16(27)28-6-2)25-17-23-15-12(4)11(3)9-10-13(15)29-17/h9-10H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey OAKUDGNVXGYCEJ-UHFFFAOYSA-N
Mol Weight 431.47 g/mol
Molecular Formula C19H24F3N3O3S
Exact Mass 431.149047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1YEyPdHDyQQ
Name ethyl 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)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/C19H24F3N3O3S/c1-5-7-8-14(26)24-18(19(20,21)22,16(27)28-6-2)25-17-23-15-12(4)11(3)9-10-13(15)29-17/h9-10H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKey OAKUDGNVXGYCEJ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_439
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: C27146; Labnumber: SOK-1066; SBI_ID: SBI-000441
Temperature 308 °C