| SpectraBase Spectrum ID |
CL67OJleeIo |
| Name |
N-((8as,9R,10S,12Ar)-9-methyl-5-oxodecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-10-yl)cyclohexanecarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.262028341 u |
| Formula |
C21H34N2O2 |
| InChI |
InChI=1S/C21H34N2O2/c1-15-17-9-5-10-19(24)23-14-6-12-21(17,23)13-11-18(15)22-20(25)16-7-3-2-4-8-16/h15-18H,2-14H2,1H3,(H,22,25)/t15-,17+,18+,21-/m1/s1 |
| InChIKey |
DOJNREOPLYXXRP-CNTRQJEFSA-N |
| Molecular Weight |
346.515 g/mol |
| SMILES |
C1(CCCCC1)C(=O)N[C@]1(CC[C@]23N(C(=O)CCC[C@]3([C@]1(C)[H])[H])CCC2)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903011 |
![N-((8as,9R,10S,12Ar)-9-methyl-5-oxodecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-10-yl)cyclohexanecarboxamide](/api/spectrum/CL67OJleeIo/structure.png?h=300&w=458 "N-((8as,9R,10S,12Ar)-9-methyl-5-oxodecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-10-yl)cyclohexanecarboxamide")
