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2,2-Dimethylpropanoic acid 3-acetyloxybutyl ester

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

2,2-Dimethylpropanoic acid 3-acetyloxybutyl ester
SpectraBase Compound ID F32ggJx2Oku
InChI InChI=1S/C11H20O4/c1-8(15-9(2)12)6-7-14-10(13)11(3,4)5/h8H,6-7H2,1-5H3
InChIKey ZDSLXBXLCGAMHE-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IwIeWpY2kOn
Name 2,2-Dimethylpropanoic acid 3-acetyloxybutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.136159120 u
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-8(15-9(2)12)6-7-14-10(13)11(3,4)5/h8H,6-7H2,1-5H3
InChIKey ZDSLXBXLCGAMHE-UHFFFAOYSA-N
Molecular Weight 216.277 g/mol
SMILES C(C(C)(C)C)(=O)OCCC(OC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924744