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3-Methyl-2-phenylbutyric acid, sodium salt

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

3-Methyl-2-phenylbutyric acid, sodium salt
SpectraBase Compound ID Kq71n321F3j
InChI InChI=1S/C11H14O2.Na/c1-8(2)10(11(12)13)9-6-4-3-5-7-9;/h3-8,10H,1-2H3,(H,12,13);/q;+1/p-1
InChIKey OUZJBFIXEAUBPX-UHFFFAOYSA-M
Mol Weight 200.21276928 g/mol
Molecular Formula C11H13NaO2
Exact Mass 200.081324 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID D8Q6hkVnPXf
Name 3-Methyl-2-phenylbutyric acid, sodium salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.081323937 u
Formula C11H13NaO2
InChI InChI=1S/C11H14O2.Na/c1-8(2)10(11(12)13)9-6-4-3-5-7-9;/h3-8,10H,1-2H3,(H,12,13);/q;+1/p-1
InChIKey OUZJBFIXEAUBPX-UHFFFAOYSA-M
Molecular Weight 200.213 g/mol
SMILES [Na+].C=1C(=CC=CC1)C(C([O-])=O)C(C)C
Spectrum/Structure Validation Score (Raman) 0.996616