SpectraBase Spectrum ID |
5p1Wrfvrc39 |
Name |
3-Nitrosalicylic acid, monosodium salt |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.998716508 u |
Formula |
C7H4NNaO5 |
InChI |
InChI=1S/C7H5NO5.Na/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3,9H,(H,10,11);/q;+1/p-1 |
InChIKey |
DLXOJVOMIITILS-UHFFFAOYSA-M |
Molecular Weight |
205.101 g/mol |
SMILES |
N(=O)(=O)C=1C(=C(C=CC1)C([O-])=O)O.[Na+] |
Spectrum/Structure Validation Score (Raman) |
0.943362 |