SpectraBase Spectrum ID |
DG6RxM3zNv2 |
Name |
3-pyridinecarboxylic acid, 2-(1-(cyanomethyl)-1,4-dihydro-2,4-dioxopyrido[2,3-d]pyrimidin-3(2H)-yl)-, methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
337.081103850 u |
Formula |
C16H11N5O4 |
InChI |
InChI=1S/C16H11N5O4/c1-25-15(23)11-5-3-8-19-13(11)21-14(22)10-4-2-7-18-12(10)20(9-6-17)16(21)24/h2-5,7-8H,9H2,1H3 |
InChIKey |
RXHKLYPCVUMUHI-UHFFFAOYSA-N |
Molecular Weight |
337.295 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_994 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13239577 |