![4-(Hydroxymethyl)-9-methyl-7-oxabicyclo[4.3.0]nonan-8-one isomer](/api/spectrum/JMIPFSVHC7R/structure.png?h=300&w=458 "4-(Hydroxymethyl)-9-methyl-7-oxabicyclo[4.3.0]nonan-8-one isomer")
| SpectraBase Compound ID | KpotxUFdrEA |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-6-8-3-2-7(5-11)4-9(8)13-10(6)12/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1 |
| InChIKey | RORIBXRQBXEOLJ-JQCXWYLXSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JMIPFSVHC7R |
|---|---|
| Name | 4-(Hydroxymethyl)-9-methyl-7-oxabicyclo[4.3.0]nonan-8-one isomer |
| Alternate Name(s) | (3S,3aR,6R,7aR)-6-Hydroxymethyl-3-methyl-hexahydro-benzofuran-2-one 4-(Hydroxymethyl)-9-methyl-7-oxabicyclo[4.3.0]nonan-8-one 6-(hydroxymethyl)-3-methylhexahydro-1-benzofuran-2(3H)-one (3S,3aR,6R,7aR)-6-(hydroxymethyl)-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one (3S,3aR,6R,7aR)-6-(hydroxymethyl)-3-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-6-8-3-2-7(5-11)4-9(8)13-10(6)12/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1 |
| InChIKey | RORIBXRQBXEOLJ-JQCXWYLXSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | OC[C@]1(C[C@]2(OC([C@]([C@]2(CC1)[H])(C)[H])=O)[H])[H] |
| SPLASH | splash10-053r-9300000000-07c19d50f107450d983e |
| Source of Spectrum | F-48-9798-28 |
| Wiley ID | 1180727 |