| SpectraBase Compound ID | B3ey1qSW0Fx |
|---|---|
| InChI | InChI=1S/C17H21NO2/c1-18(2)10-11-20-17-9-4-3-7-15(17)12-14-6-5-8-16(19)13-14/h3-9,13,19H,10-12H2,1-2H3 |
| InChIKey | YCDUZIOMGCXQAH-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C17H21NO2 |
| Exact Mass | 271.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3b30NOBHA92 |
|---|---|
| Name | Phenyltoloxamine-m (ho-) isomer-1 P726 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.157228918 u |
| Formula | C17H21NO2 |
| InChI | InChI=1S/C17H21NO2/c1-18(2)10-11-20-17-9-4-3-7-15(17)12-14-6-5-8-16(19)13-14/h3-9,13,19H,10-12H2,1-2H3 |
| InChIKey | YCDUZIOMGCXQAH-UHFFFAOYSA-N |
| Molecular Weight | 271.360 g/mol |
| SMILES | C1(CC2=CC(=CC=C2)O)=CC=CC=C1OCCN(C)C |