For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-5-[2-(4-pyridinyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID JUXMV2CMyVD
InChI InChI=1S/C21H21N3O5/c1-23-18(25)21(19(26)24(2)20(23)27,8-5-14-6-9-22-10-7-14)12-15-3-4-16-17(11-15)29-13-28-16/h3-4,6-7,9-11H,5,8,12-13H2,1-2H3
InChIKey CWFWMYGFIUCWHW-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A4AGH6aoTNq
Name 5-(1,3-benzodioxol-5-ylmethyl)-1,3-dimethyl-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/C21H21N3O5/c1-23-18(25)21(19(26)24(2)20(23)27,8-5-14-6-9-22-10-7-14)12-15-3-4-16-17(11-15)29-13-28-16/h3-4,6-7,9-11H,5,8,12-13H2,1-2H3
InChIKey CWFWMYGFIUCWHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7407
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: D29721; Labnumber: KVEX-50017; SBI_ID: SBI-007410
Temperature 315 °C