| SpectraBase Compound ID | DDS1UGkfFhL |
|---|---|
| InChI | InChI=1S/C18H22O/c1-2-3-4-5-6-11-18(19)17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3 |
| InChIKey | QYVXJTCBKIDYTC-UHFFFAOYSA-N |
| Mol Weight | 254.37 g/mol |
| Molecular Formula | C18H22O |
| Exact Mass | 254.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BNJHLXMzJre |
|---|---|
| Name | 2'-Octanonaphthone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.167065327 u |
| Formula | C18H22O |
| InChI | InChI=1S/C18H22O/c1-2-3-4-5-6-11-18(19)17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3 |
| InChIKey | QYVXJTCBKIDYTC-UHFFFAOYSA-N |
| Molecular Weight | 254.373 g/mol |
| SMILES | C1=C(C=CC=2C=CC=CC12)C(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.967137 |