SpectraBase Spectrum ID |
7nWLP4gFCE1 |
Name |
Potassium citrate tribasic monohydrate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.977798667 u |
Formula |
C6H7KO8 |
InChI |
InChI=1S/C6H8O7.K.O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;+1;/p-1 |
InChIKey |
DXKQBMJSICRBEV-UHFFFAOYSA-M |
Molecular Weight |
246.212 g/mol |
Nominal Mass |
246 u |
SMILES |
[O].C(CC(=O)[O-])(CC(=O)O)(C(=O)O)O.[K+] |
Spectrum/Structure Validation Score (Raman) |
0.854038 |