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4-chloro-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SpectraBase Compound ID 1dXKZWcjcSa
InChI InChI=1S/C16H12ClF3N4O4/c1-23-10-9(12(26)24(2)14(23)28)15(13(27)21-10,16(18,19)20)22-11(25)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,21,27)(H,22,25)
InChIKey JNEDGEYSDVCXHY-UHFFFAOYSA-N
Mol Weight 416.74 g/mol
Molecular Formula C16H12ClF3N4O4
Exact Mass 416.049917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J3Qm8sslQ9W
Name 4-chloro-N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
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/C16H12ClF3N4O4/c1-23-10-9(12(26)24(2)14(23)28)15(13(27)21-10,16(18,19)20)22-11(25)7-3-5-8(17)6-4-7/h3-6H,1-2H3,(H,21,27)(H,22,25)
InChIKey JNEDGEYSDVCXHY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5724
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: D23581; Labnumber: SOK-1571; SBI_ID: SBI-005727
Temperature 318 °C