| SpectraBase Compound ID | BBFeY5ZBoc1 |
|---|---|
| InChI | InChI=1S/C18H23NO/c1-3-19(2)13-14-20-18-12-8-7-11-17(18)15-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3 |
| InChIKey | QFFLUXUYSNMEPD-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 | DXs9NUmXM1p |
|---|---|
| Name | Phenyltoloxamine-A (-CH3,C2H5) |
| 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/c1-3-19(2)13-14-20-18-12-8-7-11-17(18)15-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3 |
| InChIKey | QFFLUXUYSNMEPD-UHFFFAOYSA-N |
| SMILES | C1(=C(OCCN(CC)C)C=CC=C1)CC1=CC=CC=C1 |