| SpectraBase Spectrum ID |
5diDTO70zfy |
| Name |
(+)-(1S)-3,3-dimethyl-2-oxo-1-norbornanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
163.099714042 u |
| Formula |
C10H13NO |
| InChI |
InChI=1S/C10H13NO/c1-9(2)7-3-4-10(5-7,6-11)8(9)12/h7H,3-5H2,1-2H3/t7?,10-/m0/s1 |
| InChIKey |
HHIRPLGIOGJKJP-MHPPCMCBSA-N |
| Molecular Weight |
163.220 g/mol |
| SMILES |
[C@@]12(C(C(C)(C)C(C2)CC1)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930687 |
