| SpectraBase Compound ID | 4hM4p3Gct52 |
|---|---|
| InChI | InChI=1S/C16H22N2O2/c1-11(2)18(12(3)19)8-7-13-10-17-16-6-5-14(20-4)9-15(13)16/h5-6,9-11,17H,7-8H2,1-4H3 |
| InChIKey | VWBVPTYTNCXGGG-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C16H22N2O2 |
| Exact Mass | 274.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G5PTNH2qSJ |
|---|---|
| Name | N-iso-Propyl-5-methoxytryptamine ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.168127954 u |
| Formula | C16H22N2O2 |
| InChI | InChI=1S/C16H22N2O2/c1-11(2)18(12(3)19)8-7-13-10-17-16-6-5-14(20-4)9-15(13)16/h5-6,9-11,17H,7-8H2,1-4H3 |
| InChIKey | VWBVPTYTNCXGGG-UHFFFAOYSA-N |
| SMILES | C=12C(NC=C2CCN(C(=O)C)C(C)C)=CC=C(C1)OC |