| SpectraBase Compound ID | B81TERUD4r3 |
|---|---|
| InChI | InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3 |
| InChIKey | PKLPQOJFHFGVBS-UHFFFAOYSA-N |
| Mol Weight | 168.15 g/mol |
| Molecular Formula | C8H8O4 |
| Exact Mass | 168.042259 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2QGP7YmzQp6 |
|---|---|
| Name | 2H-PYRAN-2-ONE, 3-ACETYL-4-HYDROXY-6-METHYL- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8O4 |
| InChI | InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3 |
| InChIKey | PKLPQOJFHFGVBS-UHFFFAOYSA-N |
| Molecular Weight | 168.0420 |
| SMILES | OC1=C(C(=O)OC(=C1)C)C(C)=O |
| SPLASH | splash10-014u-9600000000-dc6918dd67cbf8a86b5d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |