| SpectraBase Spectrum ID |
HbzW4O5P3CA |
| Name |
Acrylonitrile, .beta.-[3-(2,2-dimethylcyclopropyl)-2,2-dimethylcyclopropyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.151749616 u |
| Formula |
C13H19N |
| InChI |
InChI=1S/C13H19N/c1-12(2)8-10(12)11-9(6-5-7-14)13(11,3)4/h5-6,9-11H,8H2,1-4H3/b6-5+ |
| InChIKey |
PFWMHLMYMHMJQQ-AATRIKPKSA-N |
| Molecular Weight |
189.302 g/mol |
| SMILES |
CC1(C)C(\C=C\C#N)C1C1CC1(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954282 |
