SpectraBase Compound ID | DEU5RdQ8VZV |
---|---|
InChI | InChI=1S/C4H3ClO/c1-2-3-4(5)6/h3H,1H2 |
InChIKey | MSYGCYSLARJWLU-UHFFFAOYSA-N |
Mol Weight | 102.52 g/mol |
Molecular Formula | C4H3ClO |
Exact Mass | 101.987242 g/mol |
SpectraBase Spectrum ID | 3G6q2tytWgO |
---|---|
Name | Buta-2,3-dienoyl chloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 101.987242416 u |
Formula | C4H3ClO |
InChI | InChI=1S/C4H3ClO/c1-2-3-4(5)6/h3H,1H2 |
InChIKey | MSYGCYSLARJWLU-UHFFFAOYSA-N |
SMILES | C(=C=C)C(=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92405 |