| SpectraBase Spectrum ID |
4KUbuM4KMd8 |
| Name |
Adamantan-1-carboxamide, N-propyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.303164879 u |
| Formula |
C22H39NO |
| InChI |
InChI=1S/C22H39NO/c1-4-7-8-17(6-3)16-23(9-5-2)21(24)22-13-18-10-19(14-22)12-20(11-18)15-22/h17-20H,4-16H2,1-3H3/t17?,18-,19+,20-,22- |
| InChIKey |
MNLYHTYAYOLZPZ-VXATZZOWSA-N |
| Molecular Weight |
333.560 g/mol |
| SMILES |
C(=O)(N(CCC)CC(CCCC)CC)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877468 |
