| SpectraBase Spectrum ID |
JFFMU9i4A7e |
| Name |
Adamantane-1-carboxamide, N-(2-pentyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.397065265 u |
| Formula |
C28H51NO |
| InChI |
InChI=1S/C28H51NO/c1-4-6-7-8-9-10-11-12-13-14-16-29(23(3)15-5-2)27(30)28-20-24-17-25(21-28)19-26(18-24)22-28/h23-26H,4-22H2,1-3H3/t23?,24-,25+,26-,28- |
| InChIKey |
NURUNNDVCSPNBW-WCIVPIEASA-N |
| Molecular Weight |
417.722 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(C(C)CCC)CCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935106 |
