| SpectraBase Spectrum ID |
3mFW7KQABRF |
| Name |
N-(5-Fluoro-tricyclo[2.2.1.0*2,6*]hept-3-yl)-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
169.090292172 u |
| Formula |
C9H12FNO |
| InChI |
InChI=1S/C9H12FNO/c1-3(12)11-9-5-2-4-6(7(4)9)8(5)10/h4-9H,2H2,1H3,(H,11,12)/t4-,5+,6+,7-,8-,9+/m0/s1 |
| InChIKey |
JBKDLMWOYOPELN-VLHDXFOCSA-N |
| Molecular Weight |
169.199 g/mol |
| SMILES |
[C@@]1(F)([C@]2(C[C@]3([C@@]1([C@]3([C@@]2(NC(C)=O)[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974874 |