| SpectraBase Compound ID | 1TrsDWNcm9h |
|---|---|
| InChI | InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+ |
| InChIKey | MXVSJNLRVLKAOG-ONEGZZNKSA-N |
| Mol Weight | 104.58 g/mol |
| Molecular Formula | C5H9Cl |
| Exact Mass | 104.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B2PeTHglZxT |
|---|---|
| Name | 1-Butene, 1-chloro-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.039277990 u |
| Formula | C5H9Cl |
| InChI | InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3/b4-3+ |
| InChIKey | MXVSJNLRVLKAOG-ONEGZZNKSA-N |
| Molecular Weight | 104.580 g/mol |
| SMILES | C(\C=C\Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92664 |