| SpectraBase Compound ID | 8s60U4oX05d |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-18-14(16)10-7-11-15(17)19-13(4)9-6-8-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | AWNPIVGQISYMRH-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3fU1ORPBgvw |
|---|---|
| Name | Glutaric acid, ethyl 6-methylhept-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-5-18-14(16)10-7-11-15(17)19-13(4)9-6-8-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | AWNPIVGQISYMRH-UHFFFAOYSA-N |
| SMILES | C(OC(CCCC(C)C)C)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979923 |