| SpectraBase Compound ID | CEP8qwKZZxo |
|---|---|
| InChI | InChI=1S/C11H14N2O.C2H2O4/c12-4-3-9-6-13-11-2-1-8(7-14)5-10(9)11;3-1(4)2(5)6/h1-2,5-6,13-14H,3-4,7,12H2;(H,3,4)(H,5,6) |
| InChIKey | YVDCREMKDSNFCQ-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C13H16N2O5 |
| Exact Mass | 280.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CHpz8yu0qv |
|---|---|
| Name | 5-Hydroxymethyltryptamine oxalate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.105921618 u |
| Formula | C13H16N2O5 |
| InChI | InChI=1S/C11H14N2O.C2H2O4/c12-4-3-9-6-13-11-2-1-8(7-14)5-10(9)11;3-1(4)2(5)6/h1-2,5-6,13-14H,3-4,7,12H2;(H,3,4)(H,5,6) |
| InChIKey | YVDCREMKDSNFCQ-UHFFFAOYSA-N |
| SMILES | NCCC=1C2=C(C=CC(=C2)CO)NC1.OC(C(=O)O)=O |