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ethyl 2-{[(1,3-benzothiazol-2-ylamino)carbonyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
SpectraBase Compound ID 3jeqTiQfc5V
InChI InChI=1S/C15H13F6N3O4S/c1-2-27-10(25)14(15(19,20)21,28-7-13(16,17)18)24-11(26)23-12-22-8-5-3-4-6-9(8)29-12/h3-6H,2,7H2,1H3,(H2,22,23,24,26)
InChIKey CMPKDCCZKVNLJH-UHFFFAOYSA-N
Mol Weight 445.34 g/mol
Molecular Formula C15H13F6N3O4S
Exact Mass 445.053096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FY9rOrLH8Tz
Name ethyl 2-{[(1,3-benzothiazol-2-ylamino)carbonyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)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/C15H13F6N3O4S/c1-2-27-10(25)14(15(19,20)21,28-7-13(16,17)18)24-11(26)23-12-22-8-5-3-4-6-9(8)29-12/h3-6H,2,7H2,1H3,(H2,22,23,24,26)
InChIKey CMPKDCCZKVNLJH-UHFFFAOYSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_1680
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: ZI/8099686; Labnumber: AU-0002698; IOH_ID: IOH-001681
Temperature 313 °C