![9-Ethyl-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-en-5-methanol](/api/spectrum/H7W9bEbYfxK/structure.png?h=300&w=458 "9-Ethyl-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-en-5-methanol")
| SpectraBase Compound ID | CP3SLBRY88Z |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-3-10-8-5-4-7(2)9(6-13)11(8)12(14)15-10/h4-5,7-11,13H,3,6H2,1-2H3/t7-,8-,9-,10-,11+/m0/s1 |
| InChIKey | LGFXSISBNILKDC-AJBSGBCOSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H7W9bEbYfxK |
|---|---|
| Name | 9-Ethyl-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-en-5-methanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-3-10-8-5-4-7(2)9(6-13)11(8)12(14)15-10/h4-5,7-11,13H,3,6H2,1-2H3/t7-,8-,9-,10-,11+/m0/s1 |
| InChIKey | LGFXSISBNILKDC-AJBSGBCOSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | OC[C@@]1([C@@]2(C(O[C@@](CC)([C@@]2(C=C[C@@]1(C)[H])[H])[H])=O)[H])[H] |
| SPLASH | splash10-0006-9000000000-dc5ae42ebe5db568f90f |
| Source of Spectrum | F-53-1009-13 |
| Synonyms | (1R,4S,5S,6R,9S)-9-Ethyl-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-en-5-methanol 3-Ethyl-7-(hydroxymethyl)-6-methyl-3a,6,7,7a-tetrahydro-2-benzofuran-1(3H)-one (3S,3aR,6S,7S,7aS)-3-ethyl-7-(hydroxymethyl)-6-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one (3S,3aR,6S,7S,7aS)-3-ethyl-7-(hydroxymethyl)-6-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one |
| Wiley ID | 800177 |