| SpectraBase Compound ID | BY5XJAsmEkb |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3 |
| InChIKey | JMHAKVPFYWWNOW-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GpLCTOpXiE |
|---|---|
| Name | 1-p-Methoxyphenyl-3-butylamine; 3-(4-methoxyphenyl)-1-methylpropylamine; benzenepropanamine, 4-methoxy-alpha-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9H,3-4,12H2,1-2H3 |
| InChIKey | JMHAKVPFYWWNOW-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | NC(CCC1=CC=C(C=C1)OC)C |