| SpectraBase Spectrum ID |
EM29DjsKA5O |
| Name |
Adamantane-1-carboxamide, N-benzyl-N-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.224914557 u |
| Formula |
C21H29NO |
| InChI |
InChI=1S/C21H29NO/c1-2-8-22(15-16-6-4-3-5-7-16)20(23)21-12-17-9-18(13-21)11-19(10-17)14-21/h3-7,17-19H,2,8-15H2,1H3/t17-,18+,19-,21- |
| InChIKey |
MPXPUQQLZPUOEM-YUNDZKQISA-N |
| Molecular Weight |
311.469 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CC=1C=CC=CC1)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92875 |
