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3-Nitrosalicylic acid, monosodium salt
SpectraBase Compound ID LM7URpdfNHK
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
Mol Weight 205.10076928 g/mol
Molecular Formula C7H4NNaO5
Exact Mass 204.998717 g/mol

Raman Spectrum

Raman Spectrum

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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