| SpectraBase Compound ID | 5ihIeL4zomM |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | KNHPIDSTNJTCOI-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 | 5FVYPyffKVu |
|---|---|
| Name | Heptanedioic acid, 2-methyl-, dimethyl 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/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | KNHPIDSTNJTCOI-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(=O)(OC)C(CCCCC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979273 |