| SpectraBase Compound ID | 3SrR1pjAzQK |
|---|---|
| InChI | InChI=1S/C17H12O/c1-18-16-10-9-14-12-6-3-2-5-11(12)13-7-4-8-15(16)17(13)14/h2-10H,1H3 |
| InChIKey | KQJIBYKKDJMJJX-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C17H12O |
| Exact Mass | 232.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4SzKF0JHP3B |
|---|---|
| Name | 3-Methoxyfluoranthene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.088815005 u |
| Formula | C17H12O |
| InChI | InChI=1S/C17H12O/c1-18-16-10-9-14-12-6-3-2-5-11(12)13-7-4-8-15(16)17(13)14/h2-10H,1H3 |
| InChIKey | KQJIBYKKDJMJJX-UHFFFAOYSA-N |
| Molecular Weight | 232.282 g/mol |
| SMILES | C=12C=CC=CC1C1=CC=CC3=C1C2=CC=C3OC |
| Spectrum/Structure Validation Score (Raman) | 0.840964 |