| SpectraBase Compound ID | 1wABDsyCiKM |
|---|---|
| InChI | InChI=1S/C6H7Cl/c1-3-6(2)4-5-7/h3-5H,1-2H2/b5-4+ |
| InChIKey | YYOKGLDFZBLXEG-SNAWJCMRSA-N |
| Mol Weight | 114.57 g/mol |
| Molecular Formula | C6H7Cl |
| Exact Mass | 114.023628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IFa8Ed2YZwX |
|---|---|
| Name | 1,3-Butadiene, 2-(chloroethenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.023627925 u |
| Formula | C6H7Cl |
| InChI | InChI=1S/C6H7Cl/c1-3-6(2)4-5-7/h3-5H,1-2H2/b5-4+ |
| InChIKey | YYOKGLDFZBLXEG-SNAWJCMRSA-N |
| Molecular Weight | 114.575 g/mol |
| SMILES | C=CC(=C)\C=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855454 |