| SpectraBase Compound ID | 10a6RG1xa36 |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | MTLJANFMXKYOAV-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2OiC4rrkjg3 |
|---|---|
| Name | Ethanedioic acid, bis(1-methylpropyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | MTLJANFMXKYOAV-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(C(OC(CC)C)=O)(OC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956881 |