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2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester

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2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester
SpectraBase Compound ID Hodrc2rwVXH
InChI InChI=1S/C13H24O2/c1-6-7-8-9-10-11(2)15-12(14)13(3,4)5/h9-11H,6-8H2,1-5H3/b10-9+
InChIKey CIYFYDOFPMJDQX-MDZDMXLPSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2GUsA1vWmKp
Name 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-6-7-8-9-10-11(2)15-12(14)13(3,4)5/h9-11H,6-8H2,1-5H3/b10-9+
InChIKey CIYFYDOFPMJDQX-MDZDMXLPSA-N
Molecular Weight 212.333 g/mol
SMILES C(C(=O)OC(\C=C\CCCC)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94001