| SpectraBase Spectrum ID |
1CNrapoj26T |
| Name |
(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorobenzyl)-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/C20H16FN3O5/c21-14-4-1-12(2-5-14)10-24-19(26)15(18(25)23-20(24)27)9-22-8-13-3-6-16-17(7-13)29-11-28-16/h1-7,9,22H,8,10-11H2,(H,23,25,27)/b15-9+ |
| InChIKey |
FQLPRKCGAGTERR-OQLLNIDSSA-N |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_8982 |
| 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: D40132; Labnumber: KKA-0211-1839; SBI_ID: SBI-008985 |
| Synonyms |
5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Temperature |
306 °C |
![(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione](/api/spectrum/1CNrapoj26T/structure.png?h=300&w=458 "(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione")
