| SpectraBase Compound ID | 3KIMBmeKjIX |
|---|---|
| InChI | InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3 |
| InChIKey | TYAPSMFCSAKSOR-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oXltHhSV1j |
|---|---|
| Name | 2-Methyl-5-methoxytryptamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3 |
| InChIKey | TYAPSMFCSAKSOR-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | C1=C(C=C2C(=C1)NC(=C2CCN)C)OC |