| SpectraBase Compound ID | 3cBcKhoT60I |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-15(2)10-13-18-12-7-11-17(3)14-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3 |
| InChIKey | MMTQLRSUIKSZMQ-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 | 60AU2MxWfwB |
|---|---|
| Name | Benzyl-(3-isoamoxypropyl)-methyl-amine |
| 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/c1-15(2)10-13-18-12-7-11-17(3)14-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3 |
| InChIKey | MMTQLRSUIKSZMQ-UHFFFAOYSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | C(OCCCN(C)CC=1C=CC=CC1)CC(C)C |