SpectraBase Compound ID | ArPp60BH8cF |
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InChI | InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3 |
InChIKey | GWCRPYGYVRXVLI-UHFFFAOYSA-N |
Mol Weight | 142.15 g/mol |
Molecular Formula | C7H10O3 |
Exact Mass | 142.062994 g/mol |
SpectraBase Spectrum ID | E4vAssxWJGJ |
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Name | 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, mixture of isomers |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.062994179 u |
Formula | C7H10O3 |
InChI | InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3 |
InChIKey | GWCRPYGYVRXVLI-UHFFFAOYSA-N |
SMILES | C=1(OC(C(C1O)=O)CC)C |
Spectrum/Structure Validation Score (Raman) | 0.975152 |