| SpectraBase Compound ID | GoBVLmiNAnw |
|---|---|
| InChI | InChI=1S/C16H27NO3/c1-6-8-17-13(7-2)9-12-10-15(19-4)16(20-5)11-14(12)18-3/h10-11,13,17H,6-9H2,1-5H3 |
| InChIKey | QBHSQITXSWDKDO-UHFFFAOYSA-N |
| Mol Weight | 281.4 g/mol |
| Molecular Formula | C16H27NO3 |
| Exact Mass | 281.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQCm6Uvui8j |
|---|---|
| Name | N-Propyl-1-(2,4,5-trimethoxyphenyl)butan-2-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.199093730 u |
| Formula | C16H27NO3 |
| InChI | InChI=1S/C16H27NO3/c1-6-8-17-13(7-2)9-12-10-15(19-4)16(20-5)11-14(12)18-3/h10-11,13,17H,6-9H2,1-5H3 |
| InChIKey | QBHSQITXSWDKDO-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)OC)CC(NCCC)CC |