| SpectraBase Compound ID | BCMstLHEhIO |
|---|---|
| InChI | InChI=1S/C13H18N2O/c1-14-7-6-10-9-15(2)13-8-11(16-3)4-5-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 |
| InChIKey | LHUUBWSSSUVXBP-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C13H18N2O |
| Exact Mass | 218.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lDL39MJZgp |
|---|---|
| Name | 6-Hydroxytryptamine 3me (o,N,1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.141913207 u |
| Formula | C13H18N2O |
| InChI | InChI=1S/C13H18N2O/c1-14-7-6-10-9-15(2)13-8-11(16-3)4-5-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 |
| InChIKey | LHUUBWSSSUVXBP-UHFFFAOYSA-N |
| Molecular Weight | 218.300 g/mol |
| SMILES | C=12C(N(C=C2CCNC)C)=CC(=CC1)OC |