SpectraBase Compound ID | 35sWwCeXKGa |
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InChI | InChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18(20)19(2,3)4/h5-17H2,1-4H3 |
InChIKey | DCWZELMIUJYGMS-UHFFFAOYSA-N |
Mol Weight | 298.5 g/mol |
Molecular Formula | C19H38O2 |
Exact Mass | 298.28718 g/mol |
SpectraBase Spectrum ID | EIOX5Em2895 |
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Name | 2,2-Dimethylpropionic acid, tetradecyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 298.287180462 u |
Formula | C19H38O2 |
InChI | InChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18(20)19(2,3)4/h5-17H2,1-4H3 |
InChIKey | DCWZELMIUJYGMS-UHFFFAOYSA-N |
SMILES | CCCCCCCCCCCCCCOC(=O)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926269 |