| SpectraBase Spectrum ID |
E8ZPc9SNvh |
| Name |
Adamantane-1-carboxamide, N-(2-pentyl)-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.287514814 u |
| Formula |
C21H37NO |
| InChI |
InChI=1S/C21H37NO/c1-5-6-16(4)22(8-7-15(2)3)20(23)21-12-17-9-18(13-21)11-19(10-17)14-21/h15-19H,5-14H2,1-4H3/t16?,17-,18+,19-,21- |
| InChIKey |
AWQGCBUPMRNOFR-LUIKTNTMSA-N |
| Molecular Weight |
319.533 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(C(C)CCC)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914188 |
