SpectraBase Compound ID | 5pExtoXlkEs |
---|---|
InChI | InChI=1S/C4H4Cl2/c1-2-3-4(5)6/h2H,1H3 |
InChIKey | HCVKNSQYVJUFJC-UHFFFAOYSA-N |
Mol Weight | 122.98 g/mol |
Molecular Formula | C4H4Cl2 |
Exact Mass | 121.969006 g/mol |
SpectraBase Spectrum ID | FiUVl83rUvK |
---|---|
Name | 1,2-Butadiene, 1,1-dichloro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 121.969005529 u |
Formula | C4H4Cl2 |
InChI | InChI=1S/C4H4Cl2/c1-2-3-4(5)6/h2H,1H3 |
InChIKey | HCVKNSQYVJUFJC-UHFFFAOYSA-N |
Molecular Weight | 122.982 g/mol |
SMILES | CC=C=C(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900083 |