| SpectraBase Spectrum ID |
B5IyIE6YE |
| Name |
cis- and Trans-2,2-dimethyl-3-(2-methyl-1-propyl)-1-methoxycyclopropane-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
181.146664235 u |
| Formula |
C11H19NO |
| InChI |
InChI=1S/C11H19NO/c1-8(2)6-9-10(3,4)11(9,7-12)13-5/h8-9H,6H2,1-5H3/t9-,11-/m0/s1 |
| InChIKey |
ZRFKSJNVKLSLCX-ONGXEEELSA-N |
| Molecular Weight |
181.279 g/mol |
| SMILES |
[C@]1(C(C)(C)[C@@]1(CC(C)C)[H])(C#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896413 |
