| SpectraBase Spectrum ID |
5l7WJn8SAvL |
| Name |
1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.184112372 u |
| Formula |
C16H23N3O |
| InChI |
InChI=1S/C16H23N3O/c1-20-14-4-2-13(3-5-14)16-10-18-6-7-19(11-16)9-12(8-18)15(16)17/h2-5,12,15H,6-11,17H2,1H3/t12-,15?,16+ |
| InChIKey |
PGMVOSVDBQWHPP-KEFSRYGDSA-N |
| SMILES |
C1[C@]2(CN3C[C@](C2N)(CN1CC3)C1=CC=C(OC)C=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937808 |
![1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-amine](/api/spectrum/5l7WJn8SAvL/structure.png?h=300&w=458 "1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-amine")
