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ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
SpectraBase Compound ID ekllNoDIFT
InChI InChI=1S/C18H22F3N3O3S/c1-4-6-7-14(25)23-17(18(19,20)21,15(26)27-5-2)24-16-22-12-9-8-11(3)10-13(12)28-16/h8-10H,4-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKey YEQKDWXGBDBACU-UHFFFAOYSA-N
Mol Weight 417.45 g/mol
Molecular Formula C18H22F3N3O3S
Exact Mass 417.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7Oajzpik9x
Name ethyl 3,3,3-trifluoro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-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/C18H22F3N3O3S/c1-4-6-7-14(25)23-17(18(19,20)21,15(26)27-5-2)24-16-22-12-9-8-11(3)10-13(12)28-16/h8-10H,4-7H2,1-3H3,(H,22,24)(H,23,25)
InChIKey YEQKDWXGBDBACU-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_449
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: C27158; Labnumber: SOK-1084; SBI_ID: SBI-000451
Temperature 308 °C