| SpectraBase Compound ID | 1ueUv1cgnec |
|---|---|
| InChI | InChI=1S/C15H16O6/c1-20-14(18)10-7-11(16)13(17)12(8-10)21-15(19)9-5-3-2-4-6-9/h2-6,8,11-13,16-17H,7H2,1H3/t11-,12+,13+/m1/s1 |
| InChIKey | HXOPMEPDOSJCDC-AGIUHOORSA-N |
| Mol Weight | 292.29 g/mol |
| Molecular Formula | C15H16O6 |
| Exact Mass | 292.094688 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HF1vY4XNB88 |
|---|---|
| Name | Methyl (3S,4S,5R)-3-benzoyloxy-4,5-dihydroxycyclohex-1-en-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H16O6 |
| InChI | InChI=1S/C15H16O6/c1-20-14(18)10-7-11(16)13(17)12(8-10)21-15(19)9-5-3-2-4-6-9/h2-6,8,11-13,16-17H,7H2,1H3/t11-,12+,13+/m1/s1 |
| InChIKey | HXOPMEPDOSJCDC-AGIUHOORSA-N |
| Molecular Weight | 292.287 g/mol |
| SMILES | O[C@]1([C@@]([C@](C=C(C1)C(=O)OC)(OC(=O)c1ccccc1)[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-1900000000-a60baca409573c2311fd |
| Source of Spectrum | F-55-8452-14 |
| Synonyms | (1S,5R,6S)-5,6-dihydroxy-3-(methoxycarbonyl)-2-cyclohexen-1-yl benzoate benzoic acid[(1S,5R,6S)-3-carbomethoxy-5,6-dihydroxy-cyclohex-2-en-1-yl]ester benzoic acid[(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-1-cyclohex-2-enyl]ester [(1S,5R,6S)-3-methoxycarbonyl-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]benzoate [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-cyclohex-2-en-1-yl]benzoate benzoic acid [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-1-cyclohex-2-enyl] ester [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonylcyclohex-2-en-1-yl] benzoate [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-cyclohex-2-en-1-yl] benzoate [(1S,5R,6S)-3-methoxycarbonyl-5,6-bis(oxidanyl)cyclohex-2-en-1-yl] benzoate |
| Wiley ID | 838563 |