| SpectraBase Compound ID | FttEV6DX5By |
|---|---|
| InChI | InChI=1S/C4H9ClO/c1-3(5)4(2)6/h3-4,6H,1-2H3 |
| InChIKey | XKEHIUIIEXXHJX-UHFFFAOYSA-N |
| Mol Weight | 108.57 g/mol |
| Molecular Formula | C4H9ClO |
| Exact Mass | 108.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LBEehpaPe7M |
|---|---|
| Name | 2-Butanol, 3-chloro-, (R*,S*)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.034192609 u |
| Formula | C4H9ClO |
| InChI | InChI=1S/C4H9ClO/c1-3(5)4(2)6/h3-4,6H,1-2H3 |
| InChIKey | XKEHIUIIEXXHJX-UHFFFAOYSA-N |
| Molecular Weight | 108.568 g/mol |
| SMILES | C(C(C)Cl)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.825418 |