| SpectraBase Compound ID | AhbjnCgVk5l |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-3-4-5-6-7-12-17-13-11-15-9-8-10-16(14-15)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3 |
| InChIKey | XHGMRKYULDRVGG-UHFFFAOYSA-N |
| Mol Weight | 249.4 g/mol |
| Molecular Formula | C16H27NO |
| Exact Mass | 249.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mfXtlMFAzI |
|---|---|
| Name | N-Heptyl-3-methoxyphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.209264492 u |
| Formula | C16H27NO |
| InChI | InChI=1S/C16H27NO/c1-3-4-5-6-7-12-17-13-11-15-9-8-10-16(14-15)18-2/h8-10,14,17H,3-7,11-13H2,1-2H3 |
| InChIKey | XHGMRKYULDRVGG-UHFFFAOYSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | C=1(C=C(C=CC1)OC)CCNCCCCCCC |