| SpectraBase Compound ID | R89and1Soc |
|---|---|
| InChI | InChI=1S/C10H17ClO3/c1-3-8(4-2)7-14-10(13)6-5-9(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | LHYZWFBBDKPSSG-UHFFFAOYSA-N |
| Mol Weight | 220.7 g/mol |
| Molecular Formula | C10H17ClO3 |
| Exact Mass | 220.086622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8jbiFMHtVtn |
|---|---|
| Name | Succinic acid, monochloride 2-ethylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.086622104 u |
| Formula | C10H17ClO3 |
| InChI | InChI=1S/C10H17ClO3/c1-3-8(4-2)7-14-10(13)6-5-9(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | LHYZWFBBDKPSSG-UHFFFAOYSA-N |
| Molecular Weight | 220.696 g/mol |
| SMILES | C(C(OCC(CC)CC)=O)CC(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980903 |