SpectraBase Compound ID | 69NTO0it598 |
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InChI | InChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3 |
InChIKey | IRFVXTHHHPLIOE-UHFFFAOYSA-N |
Mol Weight | 214.39 g/mol |
Molecular Formula | C14H30O |
Exact Mass | 214.229666 g/mol |
SpectraBase Spectrum ID | JJnAdmGvJHX |
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Name | 3-Ethyl-3-dodecanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 214.229665585 u |
Formula | C14H30O |
InChI | InChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3 |
InChIKey | IRFVXTHHHPLIOE-UHFFFAOYSA-N |
Molecular Weight | 214.393 g/mol |
SMILES | OC(CC)(CCCCCCCCC)CC |
Spectrum/Structure Validation Score (Raman) | 0.990776 |