| SpectraBase Compound ID | CONdfVPF7DA |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-2-3-4-5-6-8-13-11-14-9-7-10-17-16(14)15(18)12-13/h7,9-12,18H,2-6,8H2,1H3 |
| InChIKey | HRRFFBAEGSTJCA-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ix6tCGbNWY9 |
|---|---|
| Name | 6-Heptyl-8-quinolinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-2-3-4-5-6-8-13-11-14-9-7-10-17-16(14)15(18)12-13/h7,9-12,18H,2-6,8H2,1H3 |
| InChIKey | HRRFFBAEGSTJCA-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | OC1=CC(CCCCCCC)=CC=2C=CC=NC12 |
| Spectrum/Structure Validation Score (Raman) | 0.738575 |