![Benzeneethanamine, 3-[4-methylphenyloxy]-](/api/spectrum/D7WH7Eyj90X/structure.png?h=300&w=458 "Benzeneethanamine, 3-[4-methylphenyloxy]-")
| SpectraBase Compound ID | 1qMnYCyKm2v |
|---|---|
| InChI | InChI=1S/C15H17NO/c1-12-5-7-14(8-6-12)17-15-4-2-3-13(11-15)9-10-16/h2-8,11H,9-10,16H2,1H3 |
| InChIKey | CMPBUQQIQBARPB-UHFFFAOYSA-N |
| Mol Weight | 227.31 g/mol |
| Molecular Formula | C15H17NO |
| Exact Mass | 227.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7WH7Eyj90X |
|---|---|
| Name | Benzeneethanamine, 3-[4-methylphenyloxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.131014170 u |
| Formula | C15H17NO |
| InChI | InChI=1S/C15H17NO/c1-12-5-7-14(8-6-12)17-15-4-2-3-13(11-15)9-10-16/h2-8,11H,9-10,16H2,1H3 |
| InChIKey | CMPBUQQIQBARPB-UHFFFAOYSA-N |
| Molecular Weight | 227.307 g/mol |
| SMILES | C1=C(C=CC=C1OC1=CC=C(C=C1)C)CCN |