SpectraBase Compound ID | 3X2imTntnb7 |
---|---|
InChI | InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3/b4-3- |
InChIKey | CRJBZFQLVNBSHX-ARJAWSKDSA-N |
Mol Weight | 254.41 g/mol |
Molecular Formula | C16H30O2 |
Exact Mass | 254.22458 g/mol |
SpectraBase Spectrum ID | CpjuArGrFDf |
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Name | Z-12-Tetradecen-1-ol acetate |
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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3/b4-3- |
InChIKey | CRJBZFQLVNBSHX-ARJAWSKDSA-N |
Molecular Weight | 254.414 g/mol |
SMILES | C\C=C/CCCCCCCCCCCOC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936146 |