| SpectraBase Compound ID | 5AE0Cy4NI0c |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-11(2,7-5-9(12)14-3)8-6-10(13)15-4/h5-8H2,1-4H3 |
| InChIKey | FGULTYTXAJHZMS-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Iofpq3VW7o |
|---|---|
| Name | Heptanedioic acid, 4,4-dimethyl-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-11(2,7-5-9(12)14-3)8-6-10(13)15-4/h5-8H2,1-4H3 |
| InChIKey | FGULTYTXAJHZMS-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(C(CCC(OC)=O)(C)C)CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917127 |