| SpectraBase Spectrum ID |
KQAKC0L6pgD |
| Name |
Adamantane-1-carboxamide, N-allyl-N-isobutyl- |
| 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/c1-4-5-19(12-13(2)3)17(20)18-9-14-6-15(10-18)8-16(7-14)11-18/h4,13-16H,1,5-12H2,2-3H3/t14-,15+,16-,18- |
| InChIKey |
IKEMPXLPIDJRLF-CMIRHGDUSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CC(C)C)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9729 |
