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5-{3-iodo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 643BrF2aCIT
InChI InChI=1S/C20H17IN2O5/c1-11-5-3-4-6-13(11)10-28-17-15(21)8-12(9-16(17)27-2)7-14-18(24)22-20(26)23-19(14)25/h3-9H,10H2,1-2H3,(H2,22,23,24,25,26)
InChIKey JFBGNNVOMMRLNJ-UHFFFAOYSA-N
Mol Weight 492.27 g/mol
Molecular Formula C20H17IN2O5
Exact Mass 492.018217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID uyTR2EL1DO
Name 5-{3-iodo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C20H17IN2O5/c1-11-5-3-4-6-13(11)10-28-17-15(21)8-12(9-16(17)27-2)7-14-18(24)22-20(26)23-19(14)25/h3-9H,10H2,1-2H3,(H2,22,23,24,25,26)
InChIKey JFBGNNVOMMRLNJ-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11125
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: 1003238; UBI_ID: UBI-011128
Temperature 308 °C