| SpectraBase Spectrum ID |
BAWaiwphC70 |
| Name |
Adamantane-1-carboxamide, N-benzyl-N-nonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.318814943 u |
| Formula |
C27H41NO |
| InChI |
InChI=1S/C27H41NO/c1-2-3-4-5-6-7-11-14-28(21-22-12-9-8-10-13-22)26(29)27-18-23-15-24(19-27)17-25(16-23)20-27/h8-10,12-13,23-25H,2-7,11,14-21H2,1H3/t23-,24+,25-,27- |
| InChIKey |
FJGQDWIVFRCCAW-PLNQYMIFSA-N |
| Molecular Weight |
395.631 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CC=1C=CC=CC1)CCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892525 |
