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(+)-Citramalic acid sodium salt

View entire compound with spectra: 1 FTIR, and 1 Raman

(+)-Citramalic acid sodium salt
SpectraBase Compound ID FrpUeNNIbGN
InChI InChI=1S/C5H8O5.Na/c1-5(10,4(8)9)2-3(6)7;/h10H,2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKey OHOJXYQADHETBP-JEDNCBNOSA-M
Mol Weight 170.1 g/mol
Molecular Formula C5H7NaO5
Exact Mass 170.019118 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5Pf2zW2I35y
Name (+)-citramalic acid sodium salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.019117600 u
Formula C5H7NaO5
InChI InChI=1S/C5H8O5.Na/c1-5(10,4(8)9)2-3(6)7;/h10H,2H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKey OHOJXYQADHETBP-JEDNCBNOSA-M
Molecular Weight 170.096 g/mol
SMILES [Na+].[C@@](CC(=O)O)(C([O-])=O)(O)C
Spectrum/Structure Validation Score (Raman) 0.803744