| SpectraBase Compound ID | GPkOpopfnua |
|---|---|
| InChI | InChI=1S/C11H4Cl3N/c12-10-7-4-2-1-3-6(7)9(11(13)14)8(10)5-15/h1-4H |
| InChIKey | XGGGTALNFKKMSQ-UHFFFAOYSA-N |
| Mol Weight | 256.52 g/mol |
| Molecular Formula | C11H4Cl3N |
| Exact Mass | 254.940932 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4hlkusl95b7 |
|---|---|
| Name | 1-(Dichloromethylene)-3-chloroindene-2-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.940932233 u |
| Formula | C11H4Cl3N |
| InChI | InChI=1S/C11H4Cl3N/c12-10-7-4-2-1-3-6(7)9(11(13)14)8(10)5-15/h1-4H |
| InChIKey | XGGGTALNFKKMSQ-UHFFFAOYSA-N |
| SMILES | C=1(C(C=2C=CC=CC2C1Cl)=C(Cl)Cl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901399 |