![1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3-pentenyl)-, (E)-(.+-.)-](/api/spectrum/8iPiAdROtLM/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(3-pentenyl)-, (E)-(.+-.)-")
| SpectraBase Compound ID | BM890NgNwLh |
|---|---|
| InChI | InChI=1S/C16H20N2/c1-2-3-4-9-15-16-13(10-11-17-15)12-7-5-6-8-14(12)18-16/h2-3,5-8,15,17-18H,4,9-11H2,1H3/b3-2+ |
| InChIKey | AVCCMKYAYOSUTH-NSCUHMNNSA-N |
| Mol Weight | 240.35 g/mol |
| Molecular Formula | C16H20N2 |
| Exact Mass | 240.162649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8iPiAdROtLM |
|---|---|
| Name | 1H-Pyrido[3,4-B]indole, 2,3,4,9-tetrahydro-1-(3-pentenyl)-, (E)-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.162648652 u |
| Formula | C16H20N2 |
| InChI | InChI=1S/C16H20N2/c1-2-3-4-9-15-16-13(10-11-17-15)12-7-5-6-8-14(12)18-16/h2-3,5-8,15,17-18H,4,9-11H2,1H3/b3-2+ |
| InChIKey | AVCCMKYAYOSUTH-NSCUHMNNSA-N |
| Molecular Weight | 240.350 g/mol |
| SMILES | C1=2NC=3C=CC=CC3C2CCNC1CC\C=C\C |