| SpectraBase Spectrum ID |
5veLF4uRth8 |
| Name |
2-(C-3'-Acetoxy-1',2',2'-trimethyl-R-1-cyclopentyl)propanedinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.136827826 u |
| Formula |
C13H18N2O2 |
| InChI |
InChI=1S/C13H18N2O2/c1-9(16)17-11-5-6-13(4,12(11,2)3)10(7-14)8-15/h10-11H,5-6H2,1-4H3/t11-,13-/m1/s1 |
| InChIKey |
WVGQCXUFELBUMH-DGCLKSJQSA-N |
| Molecular Weight |
234.299 g/mol |
| SMILES |
[C@@]1(C([C@](OC(=O)C)(CC1)[H])(C)C)(C(C#N)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94041 |
