SpectraBase Compound ID | l3SxvpJdvC |
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InChI | InChI=1S/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-19(20)17-6-4-2/h3-18H2,1-2H3 |
InChIKey | JUMMJAUPZPGTRV-UHFFFAOYSA-N |
Mol Weight | 298.5 g/mol |
Molecular Formula | C19H38O2 |
Exact Mass | 298.28718 g/mol |
SpectraBase Spectrum ID | LYFUowt7YXb |
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Name | Valeric 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/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-19(20)17-6-4-2/h3-18H2,1-2H3 |
InChIKey | JUMMJAUPZPGTRV-UHFFFAOYSA-N |
SMILES | CCCCC(OCCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831231 |