| SpectraBase Compound ID | 7QTX8qR6GGY |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6,8-9,11-12H,1-2H3/t8-,9+/m0/s1 |
| InChIKey | IEDYDZNMLCKKSR-DTWKUNHWSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HZeXHFBTy49 |
|---|---|
| Name | (5S,6R)-5,6-Dihydroxy-cyclohexa-1,3-dienecarboxylic acid isopropyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6,8-9,11-12H,1-2H3/t8-,9+/m0/s1 |
| InChIKey | IEDYDZNMLCKKSR-DTWKUNHWSA-N |
| Literature Reference DOI | 10.1039/c4ob01417k |
| Molecular Weight | 198.218 g/mol |
| SMILES | O[C@@]1(C(=CC=C[C@@]1(O)[H])C(=O)OC(C)C)[H] |
| SPLASH | splash10-000i-0900000000-564127206649ab9ab6cc |
| Source of Spectrum | F5-12-7814-14 |
| Synonyms | 6-(Isopropoxycarbonyl)-(1S,2S)-1,2-dihydroxycyclohexa-3,5-diene (+)-i-Propyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarboxylate (5S,6R)-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid propan-2-yl ester Propan-2-yl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Isopropyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate (5S,6R)-isopropyl 5,6-dihydroxycyclohexa-1,3-dienecarboxylate Propan-2-yl (5S,6R)-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate |
| Wiley ID | 1748287 |