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(2R,4R)-2,4-Dimethylhexanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R,4R)-2,4-Dimethylhexanoic acid
SpectraBase Compound ID F2HTMFG3sae
InChI InChI=1S/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m1/s1
InChIKey GMWSHXONQKXRHS-RNFRBKRXSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B5KIDhDyi6U
Name (2R,4R)-2,4-Dimethylhexanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-6(2)5-7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)/t6-,7-/m1/s1
InChIKey GMWSHXONQKXRHS-RNFRBKRXSA-N
Molecular Weight 144.214 g/mol
SMILES C([C@@](C[C@@](CC)(C)[H])(C)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934791