| SpectraBase Compound ID | GtbNqVOFqNN |
|---|---|
| InChI | InChI=1S/C16H21N3O3/c1-3-15(21)19-14(16(22)17-4-2)7-10-9-18-13-6-5-11(20)8-12(10)13/h5-6,8-9,14,18,20H,3-4,7H2,1-2H3,(H,17,22)(H,19,21) |
| InChIKey | SGDVNOICZVXOHG-UHFFFAOYSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C16H21N3O3 |
| Exact Mass | 303.158292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLNmZ31qiv5 |
|---|---|
| Name | Serotonin, N-propionyl-.alpha.-ethylaminocarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.158291545 u |
| Formula | C16H21N3O3 |
| InChI | InChI=1S/C16H21N3O3/c1-3-15(21)19-14(16(22)17-4-2)7-10-9-18-13-6-5-11(20)8-12(10)13/h5-6,8-9,14,18,20H,3-4,7H2,1-2H3,(H,17,22)(H,19,21) |
| InChIKey | SGDVNOICZVXOHG-UHFFFAOYSA-N |
| SMILES | C12=C(C=C(C=C2)O)C(CC(C(NCC)=O)NC(=O)CC)=CN1 |