| SpectraBase Spectrum ID |
KgH2BCy5ZkC |
| Name |
1-Adamantylthioacetic acid cyclopropylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.155120919 u |
| Formula |
C15H23NS |
| InChI |
InChI=1S/C15H23NS/c17-14(16-13-1-2-13)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13H,1-9H2,(H,16,17)/t10-,11+,12-,15- |
| InChIKey |
QJQHDKOEDSSZLV-WUQLGEGHSA-N |
| Molecular Weight |
249.416 g/mol |
| SMILES |
C12(CC(NC3CC3)=S)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95164 |
