| SpectraBase Compound ID | JcSF3GjEejp |
|---|---|
| InChI | InChI=1S/C6H13ClO2/c1-2-3-9-5-6(8)4-7/h6,8H,2-5H2,1H3 |
| InChIKey | BJKFQZKSICPHSR-UHFFFAOYSA-N |
| Mol Weight | 152.62 g/mol |
| Molecular Formula | C6H13ClO2 |
| Exact Mass | 152.060407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2Kep7G0skh |
|---|---|
| Name | 2-Propanol, 1-chloro-3-propoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.060407357 u |
| Formula | C6H13ClO2 |
| InChI | InChI=1S/C6H13ClO2/c1-2-3-9-5-6(8)4-7/h6,8H,2-5H2,1H3 |
| InChIKey | BJKFQZKSICPHSR-UHFFFAOYSA-N |
| Molecular Weight | 152.621 g/mol |
| SMILES | C(C(COCCC)O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947418 |