| SpectraBase Compound ID | HAPRBNAVMGu |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-5(8)3-6(4-11-2)7(9)10/h6H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | IQFWBKASWUWFGX-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ItCTHIalUO5 |
|---|---|
| Name | Pentanoic acid, 2-(methoxymethyl)-4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-5(8)3-6(4-11-2)7(9)10/h6H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | IQFWBKASWUWFGX-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | C(=O)(C)CC(COC)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960617 |