| SpectraBase Compound ID | 5tHAhwnxdPp |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-11(2)12(3)19-14(17)9-7-8-13(16)18-10-15(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | QOBRZVZIQWHXLY-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 | 9Ja2ssCqu3x |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl neopentyl 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/c1-11(2)12(3)19-14(17)9-7-8-13(16)18-10-15(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | QOBRZVZIQWHXLY-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965935 |