| SpectraBase Compound ID | BeNexRCkVAj |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-2-3-11-14(16)15-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,15,16) |
| InChIKey | YTKVYELVMLGADY-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8O7Cp1c6pGO |
|---|---|
| Name | 3-Phenylpropylamine pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-2-3-11-14(16)15-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,15,16) |
| InChIKey | YTKVYELVMLGADY-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C=1(CCCNC(CCCC)=O)C=CC=CC1 |