| SpectraBase Compound ID | IuANmE8bnRP |
|---|---|
| InChI | InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 |
| InChIKey | KAKZBPTYRLMSJV-UHFFFAOYSA-N |
| Mol Weight | 54.09 g/mol |
| Molecular Formula | C4H6 |
| Exact Mass | 54.04695 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4PiGS89FH72 |
|---|---|
| Name | 1,3-Butadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 54.046950193 u |
| Formula | C4H6 |
| InChI | InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 |
| InChIKey | KAKZBPTYRLMSJV-UHFFFAOYSA-N |
| SMILES | C=CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.890526 |