| SpectraBase Spectrum ID |
3Kv7BU6ZjY4 |
| Name |
N-(3,5-Dimethyl-1-adamantyl)trifluoroacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.149698756 u |
| Formula |
C14H20F3NO |
| InChI |
InChI=1S/C14H20F3NO/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)18-10(19)14(15,16)17/h9H,3-8H2,1-2H3,(H,18,19)/t9-,11+,12-,13- |
| InChIKey |
PRMUEKWAUBTBRV-YYTOVBPXSA-N |
| Molecular Weight |
275.315 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C[C@]1(NC(C(F)(F)F)=O)C[C@@](C2)(C3)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967454 |
