| SpectraBase Compound ID | BJSTmMLVhd0 |
|---|---|
| InChI | InChI=1S/C9H12O6/c1-14-8(12)4-6(10)3-7(11)5-9(13)15-2/h3-5H2,1-2H3 |
| InChIKey | IJWLPZCOROJGQO-UHFFFAOYSA-N |
| Mol Weight | 216.19 g/mol |
| Molecular Formula | C9H12O6 |
| Exact Mass | 216.063388 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AeWf1K38unO |
|---|---|
| Name | 3,5-Dioxypimelic acid - dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.063388100 u |
| Formula | C9H12O6 |
| InChI | InChI=1S/C9H12O6/c1-14-8(12)4-6(10)3-7(11)5-9(13)15-2/h3-5H2,1-2H3 |
| InChIKey | IJWLPZCOROJGQO-UHFFFAOYSA-N |
| Molecular Weight | 216.189 g/mol |
| SMILES | C(C(=O)OC)C(CC(CC(=O)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984833 |