SpectraBase Spectrum ID |
4SvWDfnBWzH |
Name |
sodium 5-(3,5-dioxocyclohex-1-en-1-yl)-5-oxopentanoate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.036164645 u |
Formula |
C8H8N3NaO5 |
InChI |
InChI=1S/C8H9N3O5.Na/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14;/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16);/q;+1/p-1 |
InChIKey |
CHJFNPOWNOUOLY-UHFFFAOYSA-M |
Molecular Weight |
249.158 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_17156 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11280469; Lab Info: UDN; Lab Number: UDN-1060002 |