![2-[3-Indolylmethyl]aminoethylthiophosphate](/api/spectrum/LkCo4EzqwN0/structure.png?h=300&w=458 "2-[3-Indolylmethyl]aminoethylthiophosphate")
| SpectraBase Compound ID | BnLFbjaQFiB |
|---|---|
| InChI | InChI=1S/C11H15N2O3PS/c14-17(15,16)18-6-5-12-7-9-8-13-11-4-2-1-3-10(9)11/h1-4,8,12-13H,5-7H2,(H2,14,15,16) |
| InChIKey | RWHZIPZSEFKAGC-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C11H15N2O3PS |
| Exact Mass | 286.054101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LkCo4EzqwN0 |
|---|---|
| Name | 2-[3-Indolylmethyl]aminoethylthiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.054100520 u |
| Formula | C11H15N2O3PS |
| InChI | InChI=1S/C11H15N2O3PS/c14-17(15,16)18-6-5-12-7-9-8-13-11-4-2-1-3-10(9)11/h1-4,8,12-13H,5-7H2,(H2,14,15,16) |
| InChIKey | RWHZIPZSEFKAGC-UHFFFAOYSA-N |
| Molecular Weight | 286.286 g/mol |
| SMILES | C1=CC=2C(CNCCSP(O)(O)=O)=CNC2C=C1 |