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Benzenepropanoic acid, .alpha.-butyl-, (R)-

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

Benzenepropanoic acid, .alpha.-butyl-, (R)-
SpectraBase Compound ID FeTMG8TaZSO
InChI InChI=1S/C13H18O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKey NQQBWCDFWBAYBJ-GFCCVEGCSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IMssxpk2KKm
Name Benzenepropanoic acid, .alpha.-butyl-, (R)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)/t12-/m1/s1
InChIKey NQQBWCDFWBAYBJ-GFCCVEGCSA-N
Molecular Weight 206.285 g/mol
SMILES C([C@@](CC=1C=CC=CC1)(CCCC)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87895