SpectraBase Compound ID | 2cnqpiJJoqi |
---|---|
InChI | InChI=1S/C7H15ClO4/c8-5-7(10)6-12-4-3-11-2-1-9/h7,9-10H,1-6H2 |
InChIKey | UQPVSBYNVAEYJS-UHFFFAOYSA-N |
Mol Weight | 198.65 g/mol |
Molecular Formula | C7H15ClO4 |
Exact Mass | 198.065887 g/mol |
SpectraBase Spectrum ID | C6ZrPKLWkES |
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Name | 1-Chloro-3-[2-(2-hydroxyethoxy)ethoxy]-2-propanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.065886659 u |
Formula | C7H15ClO4 |
InChI | InChI=1S/C7H15ClO4/c8-5-7(10)6-12-4-3-11-2-1-9/h7,9-10H,1-6H2 |
InChIKey | UQPVSBYNVAEYJS-UHFFFAOYSA-N |
Molecular Weight | 198.646 g/mol |
SMILES | C(O)(CCl)COCCOCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977277 |