SpectraBase Compound ID | 7TjH2S4iH6O |
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InChI | InChI=1S/C17H34O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17-18H,1-16H2 |
InChIKey | OLJVPJMKYGPPJE-UHFFFAOYSA-N |
Mol Weight | 286.5 g/mol |
Molecular Formula | C17H34O3 |
Exact Mass | 286.250795 g/mol |
SpectraBase Spectrum ID | FyqwgeRnyhy |
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Name | 12-(2-Oxanyloxy)-1-dodecanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 286.250794952 u |
Formula | C17H34O3 |
InChI | InChI=1S/C17H34O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17-18H,1-16H2 |
InChIKey | OLJVPJMKYGPPJE-UHFFFAOYSA-N |
Molecular Weight | 286.456 g/mol |
SMILES | C(CCCCCCCCCCCOC1CCCCO1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89873 |