| SpectraBase Spectrum ID |
6hFQ5e26aD7 |
| Name |
Methyl 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrocyclopentadeca[B]pyridine-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-23-20(22)18-15-17-13-11-9-7-5-3-2-4-6-8-10-12-14-19(17)21-16-18/h13,15H,2-12,14,16H2,1H3/b17-13- |
| InChIKey |
QETYPBJMYAGUBO-LGMDPLHJSA-N |
| Molecular Weight |
317.473 g/mol |
| SMILES |
C1(=C\C2=C\CCCCCCCCCCCCC2=NC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821475 |
![Methyl 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrocyclopentadeca[b]pyridine-3-carboxylate](/api/spectrum/6hFQ5e26aD7/structure.png?h=300&w=458 "Methyl 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrocyclopentadeca[b]pyridine-3-carboxylate")
