| SpectraBase Spectrum ID |
99rotHPmpg5 |
| Name |
(2Z)-2-(2-Chloranyl-2,3-dihydroinden-1-ylidene)ethanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.034526962 u |
| Formula |
C11H8ClN |
| InChI |
InChI=1S/C11H8ClN/c12-11-7-8-3-1-2-4-9(8)10(11)5-6-13/h1-5,11H,7H2/b10-5- |
| InChIKey |
XXMYJIWLVOGMKK-YHYXMXQVSA-N |
| Molecular Weight |
189.645 g/mol |
| SMILES |
C1=2\C(C(CC2C=CC=C1)Cl)=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97675 |
