| SpectraBase Compound ID | 6rcq2oXo6gp |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-6(5-7(2)9)3-4-8(10)11/h6H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | OMUNJJPUXKRNCU-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8dJi9osVS0o |
|---|---|
| Name | 4-Methyl-6-oxidanylidene-heptanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-6(5-7(2)9)3-4-8(10)11/h6H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | OMUNJJPUXKRNCU-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(=O)(CCC(CC(=O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901617 |