| SpectraBase Compound ID | 4C8tKJO2sTE |
|---|---|
| InChI | InChI=1S/C16H17NO2/c1-2-8-15(9-3-1)17-10-16-18-11-13-6-4-5-7-14(13)12-19-16/h1-9,16-17H,10-12H2 |
| InChIKey | KUJMIJGEYUBSNU-UHFFFAOYSA-N |
| Mol Weight | 255.32 g/mol |
| Molecular Formula | C16H17NO2 |
| Exact Mass | 255.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAc0uU9T6lK |
|---|---|
| Name | N-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.125928789 u |
| Formula | C16H17NO2 |
| InChI | InChI=1S/C16H17NO2/c1-2-8-15(9-3-1)17-10-16-18-11-13-6-4-5-7-14(13)12-19-16/h1-9,16-17H,10-12H2 |
| InChIKey | KUJMIJGEYUBSNU-UHFFFAOYSA-N |
| Molecular Weight | 255.317 g/mol |
| SMILES | N(CC1OCC=2C(CO1)=CC=CC2)C1=CC=CC=C1 |