SpectraBase Compound ID | L9G51lVZ7Qa |
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InChI | InChI=1S/C9H14O4/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4,10H,3,5-7H2,1H3/b4-2- |
InChIKey | OQXJKWRFSRNOBC-RQOWECAXSA-N |
Mol Weight | 186.21 g/mol |
Molecular Formula | C9H14O4 |
Exact Mass | 186.089209 g/mol |
SpectraBase Spectrum ID | 2ufOZ9f4ENm |
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Name | Methyl ester of (Z)-8-hydroxy-3-oxo-6-octenoic acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.089208927 u |
Formula | C9H14O4 |
InChI | InChI=1S/C9H14O4/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4,10H,3,5-7H2,1H3/b4-2- |
InChIKey | OQXJKWRFSRNOBC-RQOWECAXSA-N |
Molecular Weight | 186.207 g/mol |
SMILES | C(C(=O)OC)C(=O)CC\C=C/CO |