![1-(9-Allyl-9-azabicyclo[3.3.1]non-3-yl)-3-(4-cyanophenyl)urea](/api/spectrum/B0MfW454CYn/structure.png?h=300&w=458 "1-(9-Allyl-9-azabicyclo[3.3.1]non-3-yl)-3-(4-cyanophenyl)urea")
| SpectraBase Compound ID | 4jtgWndmhwc |
|---|---|
| InChI | InChI=1S/C19H24N4O/c1-2-10-23-17-4-3-5-18(23)12-16(11-17)22-19(24)21-15-8-6-14(13-20)7-9-15/h2,6-9,16-18H,1,3-5,10-12H2,(H2,21,22,24)/t16?,17-,18+ |
| InChIKey | SYUOKZUKPTZYLM-AYHJJNSGSA-N |
| Mol Weight | 324.43 g/mol |
| Molecular Formula | C19H24N4O |
| Exact Mass | 324.195011 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B0MfW454CYn |
|---|---|
| Name | 1-(9-Allyl-9-azabicyclo[3.3.1]non-3-yl)-3-(4-cyanophenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.195011408 u |
| Formula | C19H24N4O |
| InChI | InChI=1S/C19H24N4O/c1-2-10-23-17-4-3-5-18(23)12-16(11-17)22-19(24)21-15-8-6-14(13-20)7-9-15/h2,6-9,16-18H,1,3-5,10-12H2,(H2,21,22,24)/t16?,17-,18+ |
| InChIKey | SYUOKZUKPTZYLM-AYHJJNSGSA-N |
| Molecular Weight | 324.428 g/mol |
| SMILES | [C@@]12(N([C@@](CC(C2)NC(NC2=CC=C(C=C2)C#N)=O)(CCC1)[H])CC=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878727 |