| SpectraBase Spectrum ID |
FeiQeGLyREM |
| Name |
3-Phenyl-4-azahomoadamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.167399680 u |
| Formula |
C16H21N |
| InChI |
InChI=1S/C16H21N/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-17-16/h1-5,12-14,17H,6-11H2/t12-,13+,14-,16+ |
| InChIKey |
MKDFTJRFHMPWEN-UWOLEIRVSA-N |
| Molecular Weight |
227.351 g/mol |
| SMILES |
[C@]12(NC[C@@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915893 |
