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R-(-)-2-Butyl-n-octyl carbonate

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

R-(-)-2-Butyl-n-octyl carbonate
SpectraBase Compound ID GNaMGKJrJI0
InChI InChI=1S/C13H26O3/c1-3-5-7-8-10-12(9-6-4-2)11-16-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKey VUTLRTHCSKFUDB-GFCCVEGCSA-N
Mol Weight 230.35 g/mol
Molecular Formula C13H26O3
Exact Mass 230.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D68f6qU1E7L
Name R-(-)-2-butyl-N-octyl carbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.188194694 u
Formula C13H26O3
InChI InChI=1S/C13H26O3/c1-3-5-7-8-10-12(9-6-4-2)11-16-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKey VUTLRTHCSKFUDB-GFCCVEGCSA-N
Molecular Weight 230.348 g/mol
SMILES C(=O)(OC[C@@](CCCCCC)(CCCC)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951739