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2,2-Dimethylpropionic acid, undec-10-enyl ester

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2,2-Dimethylpropionic acid, undec-10-enyl ester
SpectraBase Compound ID LU6tWAm0kZm
InChI InChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5H,1,6-14H2,2-4H3
InChIKey PSKTVBUPGYXXEO-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GTAt2Flq526
Name 2,2-Dimethylpropionic acid, undec-10-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-5-6-7-8-9-10-11-12-13-14-18-15(17)16(2,3)4/h5H,1,6-14H2,2-4H3
InChIKey PSKTVBUPGYXXEO-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C=CCCCCCCCCCOC(=O)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969235