| SpectraBase Spectrum ID |
2Stzqpmf8UP |
| Name |
Adamantane-1-carboxamide, N-allyl-N-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.209264492 u |
| Formula |
C17H27NO |
| InChI |
InChI=1S/C17H27NO/c1-3-5-18(6-4-2)16(19)17-10-13-7-14(11-17)9-15(8-13)12-17/h3,13-15H,1,4-12H2,2H3/t13-,14+,15-,17- |
| InChIKey |
HMRSACNUKGSQSM-LTBQPASTSA-N |
| Molecular Weight |
261.409 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CCC)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904691 |
