| SpectraBase Spectrum ID |
BXEQeWsEBy8 |
| Name |
Adamantane-1-carboxamide, N-allyl-N-butyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.224914557 u |
| Formula |
C18H29NO |
| InChI |
InChI=1S/C18H29NO/c1-3-5-7-19(6-4-2)17(20)18-11-14-8-15(12-18)10-16(9-14)13-18/h4,14-16H,2-3,5-13H2,1H3/t14-,15+,16-,18- |
| InChIKey |
PXEVRRJGZNDLPZ-CMIRHGDUSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CCCC)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941518 |
