| SpectraBase Spectrum ID |
9pqWlopUxJs |
| Name |
Bicyclo[2.2.1]heptane-2-acetonitrile, 3,3-dimethyl-, endo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
163.136099551 u |
| Formula |
C11H17N |
| InChI |
InChI=1S/C11H17N/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10H,3-5,7H2,1-2H3/t8-,9-,10+/m0/s1 |
| InChIKey |
CLYFANPLZQXOEY-LPEHRKFASA-N |
| Molecular Weight |
163.264 g/mol |
| SMILES |
C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(CC#N)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929201 |
![Bicyclo[2.2.1]heptane-2-acetonitrile, 3,3-dimethyl-, endo-](/api/spectrum/9pqWlopUxJs/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-acetonitrile, 3,3-dimethyl-, endo-")
