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(3-Acetoxy-1-methyl-propyl) 2,2-dimethylpropanoate

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

(3-Acetoxy-1-methyl-propyl) 2,2-dimethylpropanoate
SpectraBase Compound ID 5KNJr6WsmeO
InChI InChI=1S/C11H20O4/c1-8(6-7-14-9(2)12)15-10(13)11(3,4)5/h8H,6-7H2,1-5H3
InChIKey VPSSHJWCNUAXJB-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 21HISZlGuCG
Name (3-Acetoxy-1-methyl-propyl) 2,2-dimethylpropanoate
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(6-7-14-9(2)12)15-10(13)11(3,4)5/h8H,6-7H2,1-5H3
InChIKey VPSSHJWCNUAXJB-UHFFFAOYSA-N
Molecular Weight 216.277 g/mol
SMILES C(C(C)(C)C)(OC(CCOC(=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969241