| SpectraBase Spectrum ID |
JxURvc8v7Tg |
| Name |
Acetonitrile, (1,1-dimethylethoxy)(2-methylcyclohexylidene)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.162314299 u |
| Formula |
C13H21NO |
| InChI |
InChI=1S/C13H21NO/c1-10-7-5-6-8-11(10)12(9-14)15-13(2,3)4/h10H,5-8H2,1-4H3/b12-11+ |
| InChIKey |
AJKOKXXBYRSAAI-VAWYXSNFSA-N |
| Molecular Weight |
207.317 g/mol |
| SMILES |
C1(\C(=C/(C#N)OC(C)(C)C)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866697 |
