| SpectraBase Spectrum ID |
LUonttqE50s |
| Name |
N-(1-Adamantyl)-2-bromanyl-ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.057177203 u |
| Formula |
C12H18BrNO |
| InChI |
InChI=1S/C12H18BrNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)/t8-,9+,10-,12- |
| InChIKey |
PRIHBWFFGUPPOR-GOCCLTDMSA-N |
| SMILES |
C12(NC(=O)CBr)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901024 |
