| SpectraBase Compound ID | GUD8F6DR1yo |
|---|---|
| InChI | InChI=1S/C8H14O6/c1-14-7(12)8(13)2-4(9)6(11)5(10)3-8/h4-6,9-11,13H,2-3H2,1H3/t4-,5+,6-,8+ |
| InChIKey | GBNSPDJKJDIAFT-BTQRUTTGSA-N |
| Mol Weight | 206.19 g/mol |
| Molecular Formula | C8H14O6 |
| Exact Mass | 206.079038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AM2iWAl4s5U |
|---|---|
| Name | (-)-Methyl 5-epi-quinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14O6 |
| InChI | InChI=1S/C8H14O6/c1-14-7(12)8(13)2-4(9)6(11)5(10)3-8/h4-6,9-11,13H,2-3H2,1H3/t4-,5+,6-,8+ |
| InChIKey | GBNSPDJKJDIAFT-BTQRUTTGSA-N |
| Molecular Weight | 206.194 g/mol |
| SMILES | O[C@@]1([C@@](C[C@](C[C@@]1(O)[H])(C(=O)OC)O)(O)[H])[H] |
| SPLASH | splash10-0gzc-1900000000-4e96f3a9aa8fadde6fa8 |
| Source of Spectrum | AT-38-5228-10 |
| Wiley ID | 853942 |