| SpectraBase Compound ID | 3c6bVGEstJd |
|---|---|
| InChI | InChI=1S/C17H18O3/c18-14(17-15(19)11-6-12-16(17)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12,19-20H,4-5,9-10H2 |
| InChIKey | MCFQVPWNIUZPJV-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5STFZFOYeYO |
|---|---|
| Name | Knerachelin-B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c18-14(17-15(19)11-6-12-16(17)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,11-12,19-20H,4-5,9-10H2 |
| InChIKey | MCFQVPWNIUZPJV-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCC1=CC=CC=C1)C1=C(O)C=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888434 |