![1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3-pentynyl)-, (.+-.)-](/api/spectrum/CO32pnsxQet/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3-pentynyl)-, (.+-.)-")
| SpectraBase Compound ID | 8vOJTHLNOyY |
|---|---|
| InChI | InChI=1S/C16H18N2/c1-2-3-4-9-15-16-13(10-11-17-15)12-7-5-6-8-14(12)18-16/h5-8,15,17-18H,4,9-11H2,1H3 |
| InChIKey | DGWKNCMMQUPSCH-UHFFFAOYSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C16H18N2 |
| Exact Mass | 238.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CO32pnsxQet |
|---|---|
| Name | 1H-Pyrido[3,4-B]indole, 2,3,4,9-tetrahydro-1-(3-pentynyl)-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.146998588 u |
| Formula | C16H18N2 |
| InChI | InChI=1S/C16H18N2/c1-2-3-4-9-15-16-13(10-11-17-15)12-7-5-6-8-14(12)18-16/h5-8,15,17-18H,4,9-11H2,1H3 |
| InChIKey | DGWKNCMMQUPSCH-UHFFFAOYSA-N |
| Molecular Weight | 238.334 g/mol |
| SMILES | C1=2NC=3C=CC=CC3C2CCNC1CCC#CC |