| SpectraBase Compound ID | 4wq9Nxf5fLF |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-2-3-5-4-6-7(12(15)16-5)9(14)11-10(17-11)8(6)13/h5,8-11,13-14H,2-4H2,1H3/t5-,8+,9-,10-,11+/m1/s1 |
| InChIKey | LYVLYKYBSADXKN-IQTKVYMNSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HfzkJRZM5gd |
|---|---|
| Name | (1aR,2S,4R,7R,7aS)-2,7-Dihydroxy-4-propyl-1a,2,3,4,7,7a-hexahydro-1,5-dioxa-cyclopropa[b]naphthalen-6-one |
| Alternate Name(s) | Cycloepoxylactone (1aS,2R,5R,7S,7aR)-2,7-dihydroxy-5-propyl-1a,2,5,6,7,7a-hexahydrooxireno[2,3-g][2]benzopyran-3-one (1aS,2R,5R,7S,7aR)-2,7-dihydroxy-5-propyl-1a,2,5,6,7,7a-hexahydrooxireno[2,3-g]isochromen-3-one (1aS,2R,5R,7S,7aR)-2,7-bis(oxidanyl)-5-propyl-1a,2,5,6,7,7a-hexahydrooxireno[2,3-g]isochromen-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-2-3-5-4-6-7(12(15)16-5)9(14)11-10(17-11)8(6)13/h5,8-11,13-14H,2-4H2,1H3/t5-,8+,9-,10-,11+/m1/s1 |
| InChIKey | LYVLYKYBSADXKN-IQTKVYMNSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | O[C@]1(C2=C([C@]([C@]3([C@@]1(O3)[H])[H])(O)[H])C(O[C@@](C2)(CCC)[H])=O)[H] |
| SPLASH | splash10-05fr-9710000000-ce72b74f3b22fee1486e |
| Source of Spectrum | U1-2009-754-1a |
| Wiley ID | 1662524 |