| SpectraBase Compound ID | Lns2XJM1o4D |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6(5-8(10)13-3)4-7(2)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12) |
| InChIKey | WATPISKTNXKADP-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LrsBpmdOUd4 |
|---|---|
| Name | 2,4-Dimethylhexanedioic acid, 6-methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-6(5-8(10)13-3)4-7(2)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12) |
| InChIKey | WATPISKTNXKADP-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | CC(C(O)=O)CC(C)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967018 |