| SpectraBase Spectrum ID |
GGrTb2O77Sm |
| Name |
2-(Benzylamino)-4-chloro-3,3-dimethyl-butanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.108026255 u |
| Formula |
C13H17ClN2 |
| InChI |
InChI=1S/C13H17ClN2/c1-13(2,10-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-7,12,16H,9-10H2,1-2H3 |
| InChIKey |
XPABVZMYIGJJMS-UHFFFAOYSA-N |
| Molecular Weight |
236.746 g/mol |
| SMILES |
C(#N)C(C(CCl)(C)C)NCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974344 |
