| SpectraBase Spectrum ID |
2SzfylLV2fV |
| Name |
Cyclohexanecarbonitrile, 2-methyl-1-phenyl-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.136099551 u |
| Formula |
C14H17N |
| InChI |
InChI=1S/C14H17N/c1-12-7-5-6-10-14(12,11-15)13-8-3-2-4-9-13/h2-4,8-9,12H,5-7,10H2,1H3/t12-,14+/m0/s1 |
| InChIKey |
PDGRHIZRRCNPHL-GXTWGEPZSA-N |
| Molecular Weight |
199.297 g/mol |
| SMILES |
[C@]1(C#N)(C=2C=CC=CC2)[C@@](C)(CCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865128 |
