| SpectraBase Compound ID | Jx82SX29ajP |
|---|---|
| InChI | InChI=1S/C4H3Cl3/c5-3-1-2-4(6)7/h1H,3H2 |
| InChIKey | ZWIQJGKTLUMQPD-UHFFFAOYSA-N |
| Mol Weight | 157.43 g/mol |
| Molecular Formula | C4H3Cl3 |
| Exact Mass | 155.930033 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G7DLHRT9dVW |
|---|---|
| Name | 1,2-Butadiene, 1,1,4-trichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.930033197 u |
| Formula | C4H3Cl3 |
| InChI | InChI=1S/C4H3Cl3/c5-3-1-2-4(6)7/h1H,3H2 |
| InChIKey | ZWIQJGKTLUMQPD-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)=C=CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868937 |