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N-[1-(4-chlorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SpectraBase Compound ID Hi4abt7n0MZ
InChI InChI=1S/C15H10ClF3N4O4/c1-6(24)22-14(15(17,18)19)9-10(20-12(14)26)23(13(27)21-11(9)25)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey GNFVDDCKSJWDCS-UHFFFAOYSA-N
Mol Weight 402.72 g/mol
Molecular Formula C15H10ClF3N4O4
Exact Mass 402.034267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4UgO97WwL9y
Name N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
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/C15H10ClF3N4O4/c1-6(24)22-14(15(17,18)19)9-10(20-12(14)26)23(13(27)21-11(9)25)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey GNFVDDCKSJWDCS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20394
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: D16672; Labnumber: SOK-1470; SBI_ID: SBI-020398
Temperature 318 °C