| SpectraBase Compound ID | 8R1EXRjDRK6 |
|---|---|
| InChI | InChI=1S/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3 |
| InChIKey | QOAAHMCFVNHTBI-UHFFFAOYSA-N |
| Mol Weight | 144.13 g/mol |
| Molecular Formula | C6H8O4 |
| Exact Mass | 144.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34K5bhhKhdZ |
|---|---|
| Name | Acetylcarnitine oxylactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.042258734 u |
| Formula | C6H8O4 |
| InChI | InChI=1S/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3 |
| InChIKey | QOAAHMCFVNHTBI-UHFFFAOYSA-N |
| Molecular Weight | 144.126 g/mol |
| SMILES | C1(CC(OC(=O)C)CO1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993763 |