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ethyl 2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-ylcarbamate
SpectraBase Compound ID 5BSvSv5b1Fj
InChI InChI=1S/C16H13F3N4O5/c1-2-28-14(27)22-15(16(17,18)19)9-10(20-12(15)25)23(13(26)21-11(9)24)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,20,25)(H,22,27)(H,21,24,26)
InChIKey PBAYCGSQTTVJME-UHFFFAOYSA-N
Mol Weight 398.3 g/mol
Molecular Formula C16H13F3N4O5
Exact Mass 398.083804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9fnvAPRCCuY
Name ethyl 2,4,6-trioxo-1-phenyl-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-ylcarbamate
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/C16H13F3N4O5/c1-2-28-14(27)22-15(16(17,18)19)9-10(20-12(15)25)23(13(26)21-11(9)24)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,20,25)(H,22,27)(H,21,24,26)
InChIKey PBAYCGSQTTVJME-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27282
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: D75812; Labnumber: SOK-1333; SBI_ID: SBI-027286
Temperature 308 °C