| SpectraBase Spectrum ID |
JWGsXQT2wc2 |
| Name |
Adamantan-1-carboxamide, N-propyl-N-tetradecyl- |
| 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-29(16-4-2)27(30)28-21-24-18-25(22-28)20-26(19-24)23-28/h24-26H,3-23H2,1-2H3/t24-,25+,26-,28- |
| InChIKey |
NQULQUSHLAYNKW-JHJUWNJASA-N |
| Molecular Weight |
417.722 g/mol |
| SMILES |
C(=O)(N(CCC)CCCCCCCCCCCCCC)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832926 |
