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2-(Benzyloxy)-3-hydroxy-3-methylbutyric acid

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

2-(Benzyloxy)-3-hydroxy-3-methylbutyric acid
SpectraBase Compound ID Ca2sej40mRM
InChI InChI=1S/C12H16O4/c1-12(2,15)10(11(13)14)16-8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H,13,14)
InChIKey PIKBXHAJQOQCHP-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID isZ6xICkd0
Name 2-(Benzyloxy)-3-hydroxy-3-methylbutyric acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.104858991 u
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(2,15)10(11(13)14)16-8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H,13,14)
InChIKey PIKBXHAJQOQCHP-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES OC(C(C(C)(C)O)OCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Raman) 0.901869