SpectraBase Compound ID | A3T6m1nGgez |
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InChI | InChI=1S/C9H12O3/c1-8-2-3-9(6-10,12-8)5-7(11)4-8/h2-3,10H,4-6H2,1H3 |
InChIKey | QOKBWOWRFXNNBL-UHFFFAOYSA-N |
Mol Weight | 168.19 g/mol |
Molecular Formula | C9H12O3 |
Exact Mass | 168.078644 g/mol |
SpectraBase Spectrum ID | EysdDSDnlq3 |
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Name | 1-Hydroxymethyl-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H12O3 |
InChI | InChI=1S/C9H12O3/c1-8-2-3-9(6-10,12-8)5-7(11)4-8/h2-3,10H,4-6H2,1H3 |
InChIKey | QOKBWOWRFXNNBL-UHFFFAOYSA-N |
Molecular Weight | 168.192 g/mol |
SMILES | OCC12CC(CC(C=C2)(O1)C)=O |
SPLASH | splash10-000b-6900000000-23161d3c579a6cb42ff5 |
Source of Spectrum | J-64-3404-4 |
Wiley ID | 1530166 |