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5-(4-isopropoxybenzyl)-5-[2-(4-pyridinyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID E66Fu42b5CQ
InChI InChI=1S/C21H23N3O4/c1-14(2)28-17-5-3-16(4-6-17)13-21(10-7-15-8-11-22-12-9-15)18(25)23-20(27)24-19(21)26/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H2,23,24,25,26,27)
InChIKey NABUEHHRPLWHLS-UHFFFAOYSA-N
Mol Weight 381.43 g/mol
Molecular Formula C21H23N3O4
Exact Mass 381.168856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID He9SXZ558RW
Name 5-(4-isopropoxybenzyl)-5-[2-(4-pyridinyl)ethyl]-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/C21H23N3O4/c1-14(2)28-17-5-3-16(4-6-17)13-21(10-7-15-8-11-22-12-9-15)18(25)23-20(27)24-19(21)26/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H2,23,24,25,26,27)
InChIKey NABUEHHRPLWHLS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7398
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: D29710; Labnumber: KVEX-50002; SBI_ID: SBI-007401
Temperature 315 °C