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2,2-Dimethylpropanoic acid undecyl ester

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

2,2-Dimethylpropanoic acid undecyl ester
SpectraBase Compound ID 6BZXy2Tw0cP
InChI InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5-14H2,1-4H3
InChIKey GXUKFHOAPCUAJY-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4dgJtAS0uX6
Name 2,2-Dimethylpropanoic acid, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.240230268 u
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5-14H2,1-4H3
InChIKey GXUKFHOAPCUAJY-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES C(CCCCCCCCCC)OC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936932