| SpectraBase Compound ID | 4iouXRrNhkd |
|---|---|
| InChI | InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3 |
| InChIKey | QSQQPMHPCBLLGX-UHFFFAOYSA-N |
| Mol Weight | 269.39 g/mol |
| Molecular Formula | C18H23NO |
| Exact Mass | 269.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAsH9RbXvmj |
|---|---|
| Name | Bifemelane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.177964364 u |
| Formula | C18H23NO |
| InChI | InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3 |
| InChIKey | QSQQPMHPCBLLGX-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1CC1=C(C=CC=C1)OCCCCNC |