| SpectraBase Compound ID | 7NhmzE8rx9R |
|---|---|
| InChI | InChI=1S/C13H21NO2/c14-9-5-3-1-2-4-6-11-7-8-12(15)13(16)10-11/h7-8,10,15-16H,1-6,9,14H2 |
| InChIKey | CBJLYPFYLREVCA-UHFFFAOYSA-N |
| Mol Weight | 223.32 g/mol |
| Molecular Formula | C13H21NO2 |
| Exact Mass | 223.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aGj4jsxbZn |
|---|---|
| Name | (3,4-Dihydroxyphenyl)heptylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c14-9-5-3-1-2-4-6-11-7-8-12(15)13(16)10-11/h7-8,10,15-16H,1-6,9,14H2 |
| InChIKey | CBJLYPFYLREVCA-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | C1(O)=CC=C(C=C1O)CCCCCCCN |