| SpectraBase Spectrum ID |
2Uyy1QFjDo6 |
| Name |
5-(4-Methoxyphenyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.136827826 u |
| Formula |
C15H18N2O2 |
| InChI |
InChI=1S/C15H18N2O2/c1-19-13-4-2-12(3-5-13)15-8-16-6-11(14(15)18)7-17(9-15)10-16/h2-5,11H,6-10H2,1H3/t11-,15+ |
| InChIKey |
GEFQQHSGMDRFBM-WGRBQBNCSA-N |
| Molecular Weight |
258.321 g/mol |
| SMILES |
C1[C@]2(CN3CN1C[C@@](C2=O)(C3)C1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920777 |
![5-(4-Methoxyphenyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one](/api/spectrum/2Uyy1QFjDo6/structure.png?h=300&w=458 "5-(4-Methoxyphenyl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one")
