| SpectraBase Compound ID | 1mg0pn1tnOu |
|---|---|
| InChI | InChI=1S/C8H10O3/c1-3-4-6-5(2)7(9)11-8(6)10/h3-4H2,1-2H3 |
| InChIKey | YYKCBSMIPLOYJP-UHFFFAOYSA-N |
| Mol Weight | 154.16 g/mol |
| Molecular Formula | C8H10O3 |
| Exact Mass | 154.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFJFPqpz5kJ |
|---|---|
| Name | 2,5-Furandione, 3-methyl-4-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.062994179 u |
| Formula | C8H10O3 |
| InChI | InChI=1S/C8H10O3/c1-3-4-6-5(2)7(9)11-8(6)10/h3-4H2,1-2H3 |
| InChIKey | YYKCBSMIPLOYJP-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=O)C(=C1C)CCC |