| SpectraBase Compound ID | 880MMKzIByj |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,6-7,9-10H,1H3/t6-,7+/m0/s1 |
| InChIKey | QFBYJOPVRDGQAV-NKWVEPMBSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 57QaxieVPg2 |
|---|---|
| Name | (5S,6R)-5,6-Dihydroxy-cyclohexa-1,3-dienecarboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,6-7,9-10H,1H3/t6-,7+/m0/s1 |
| InChIKey | QFBYJOPVRDGQAV-NKWVEPMBSA-N |
| Literature Reference DOI | 10.1039/c4ob01417k |
| Molecular Weight | 170.164 g/mol |
| SMILES | O[C@@]1(C(=CC=C[C@@]1(O)[H])C(=O)OC)[H] |
| SPLASH | splash10-0h3i-4900000000-02045b69c9502ffb89e5 |
| Source of Spectrum | F5-12-7814-11 |
| Synonyms | 6-(Methoxycarbonyl)-(1S,2S)-1,2-dihydroxycyclohexa-3,5-diene (+)-Methyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-dienecarboxylate (5S,6R)-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylic acid methyl ester Methyl (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Methyl (5S,6R)-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate (5S,6R)-methyl 5,6-dihydroxycyclohexa-1,3-dienecarboxylate |
| Wiley ID | 1748284 |