| SpectraBase Spectrum ID |
4RbVheoldeH |
| Name |
Adamantane-1-carboxamide, N-allyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.271864750 u |
| Formula |
C21H35NO |
| InChI |
InChI=1S/C21H35NO/c1-3-5-6-7-8-10-22(9-4-2)20(23)21-14-17-11-18(15-21)13-19(12-17)16-21/h4,17-19H,2-3,5-16H2,1H3/t17-,18+,19-,21- |
| InChIKey |
MEMGDBQXIUOBIU-YUNDZKQISA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CCCCCCC)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955304 |
