SpectraBase Compound ID | 7fmY5jG0FkJ |
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InChI | InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3 |
InChIKey | CYEJMVLDXAUOPN-UHFFFAOYSA-N |
Mol Weight | 262.44 g/mol |
Molecular Formula | C18H30O |
Exact Mass | 262.229666 g/mol |
SpectraBase Spectrum ID | BW1GUMcA3pY |
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Name | o-Dodecylphenol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 262.229665585 u |
Formula | C18H30O |
InChI | InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3 |
InChIKey | CYEJMVLDXAUOPN-UHFFFAOYSA-N |
Molecular Weight | 262.437 g/mol |
SMILES | OC1=C(C=CC=C1)CCCCCCCCCCCC |
Spectrum/Structure Validation Score (Raman) | 0.983088 |