| SpectraBase Spectrum ID |
DxOVIVJpviW |
| Name |
{1-[3-(4-Chlorophenyl)-1-adamantyl]ethyl}amine, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.170292160 u |
| Formula |
C20H26ClNO |
| InChI |
InChI=1S/C20H26ClNO/c1-13(22-14(2)23)19-8-15-7-16(9-19)11-20(10-15,12-19)17-3-5-18(21)6-4-17/h3-6,13,15-16H,7-12H2,1-2H3,(H,22,23) |
| InChIKey |
JEPDCJAGMGINAO-UHFFFAOYSA-N |
| Molecular Weight |
331.887 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)C12CC3(CC(C2)CC(C1)C3)C(NC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961096 |
![{1-[3-(4-Chlorophenyl)-1-adamantyl]ethyl}amine, ac derivative](/api/spectrum/DxOVIVJpviW/structure.png?h=300&w=458 "{1-[3-(4-Chlorophenyl)-1-adamantyl]ethyl}amine, ac derivative")
