| SpectraBase Spectrum ID |
BpXNRxSJ0EV |
| Name |
(E,Z)-2-Tert-butylamino-3-chloro-4-methyl-2-pentenenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.108026255 u |
| Formula |
C10H17ClN2 |
| InChI |
InChI=1S/C10H17ClN2/c1-7(2)9(11)8(6-12)13-10(3,4)5/h7,13H,1-5H3/b9-8+ |
| InChIKey |
UBRZSUUSAIKZQD-CMDGGOBGSA-N |
| Molecular Weight |
200.713 g/mol |
| SMILES |
C(\C(=C\(NC(C)(C)C)C#N)Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891061 |
