| SpectraBase Compound ID | F3qDgd1ohD5 |
|---|---|
| InChI | InChI=1S/C12H15N3O2/c1-14-12(17)10(13)4-7-6-15-11-3-2-8(16)5-9(7)11/h2-3,5-6,10,15-16H,4,13H2,1H3,(H,14,17) |
| InChIKey | QNCCNYVRKCGBEL-UHFFFAOYSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C12H15N3O2 |
| Exact Mass | 233.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mL3gFp3krJ |
|---|---|
| Name | Serotonin, .alpha.-methylaminocarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.116426733 u |
| Formula | C12H15N3O2 |
| InChI | InChI=1S/C12H15N3O2/c1-14-12(17)10(13)4-7-6-15-11-3-2-8(16)5-9(7)11/h2-3,5-6,10,15-16H,4,13H2,1H3,(H,14,17) |
| InChIKey | QNCCNYVRKCGBEL-UHFFFAOYSA-N |
| Molecular Weight | 233.271 g/mol |
| SMILES | C12=C(C=C(C=C2)O)C(CC(N)C(NC)=O)=CN1 |