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2-[(4-chlorobenzoyl)amino]-2-[(3,5-dichloro-2-pyridyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 8tZr1XJ6ZbC
InChI InChI=1S/C16H11Cl3F3N3O3/c1-28-14(27)15(16(20,21)22,24-12-11(19)6-10(18)7-23-12)25-13(26)8-2-4-9(17)5-3-8/h2-7H,1H3,(H,23,24)(H,25,26)
InChIKey SCNOMIQGBPXJLC-UHFFFAOYSA-N
Mol Weight 456.64 g/mol
Molecular Formula C16H11Cl3F3N3O3
Exact Mass 454.981809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DvcRcYLHQEN
Name methyl 2-[(4-chlorobenzoyl)amino]-2-[(3,5-dichloro-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
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/C16H11Cl3F3N3O3/c1-28-14(27)15(16(20,21)22,24-12-11(19)6-10(18)7-23-12)25-13(26)8-2-4-9(17)5-3-8/h2-7H,1H3,(H,23,24)(H,25,26)
InChIKey SCNOMIQGBPXJLC-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_479
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: C27201; Labnumber: SOK-1147; SBI_ID: SBI-000481
Temperature 308 °C