| SpectraBase Spectrum ID |
7YfY1yCGgKP |
| Name |
Butanedinitrile, 2,3-dimethyl-2,3-dipropyl-, (R*,S*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.162648652 u |
| Formula |
C12H20N2 |
| InChI |
InChI=1S/C12H20N2/c1-5-7-11(3,9-13)12(4,10-14)8-6-2/h5-8H2,1-4H3/t11-,12+ |
| InChIKey |
QVHLOAVPGAMEGC-TXEJJXNPSA-N |
| Molecular Weight |
192.306 g/mol |
| SMILES |
C(#N)[C@@]([C@@](C#N)(CCC)C)(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939258 |
