![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo-](/api/spectrum/JtSlVpTVHXO/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo-")
| SpectraBase Compound ID | 5ynbAiS7Rhu |
|---|---|
| InChI | InChI=1S/C18H16O7/c1-6-5-10(19)7(2)14-11(6)18(23)25-16-9(4)13(20)12(17(21)22)8(3)15(16)24-14/h5,19-20H,1-4H3,(H,21,22) |
| InChIKey | CFPLLTGKDKZLIH-UHFFFAOYSA-N |
| Mol Weight | 344.32 g/mol |
| Molecular Formula | C18H16O7 |
| Exact Mass | 344.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JtSlVpTVHXO |
|---|---|
| Name | 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-1,4,6,9-tetramethyl-11-oxo- |
| CAS Registry Number | 4665-02-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H16O7 |
| InChI | InChI=1S/C18H16O7/c1-6-5-10(19)7(2)14-11(6)18(23)25-16-9(4)13(20)12(17(21)22)8(3)15(16)24-14/h5,19-20H,1-4H3,(H,21,22) |
| InChIKey | CFPLLTGKDKZLIH-UHFFFAOYSA-N |
| Molecular Weight | 344.319 g/mol |
| SMILES | OC(c1c(c2Oc3c(c(cc(c3C)O)C)C(Oc2c(c1O)C)=O)C)=O |
| SPLASH | splash10-0007-5291000000-887d689a96d158fe7c95 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3,8-Dihydroxy-1,4,6,9-tetramethyl-11-oxo-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acid 1,4,7,10-tetramethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid 3,9-Dihydroxy-1,4,7,10-tetramethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid 3,9-Dihydroxy-1,4,7,10-tetramethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid 3,9-Dihydroxy-6-keto-1,4,7,10-tetramethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Benzoic acid, 3-(2-carboxy-5-hydroxy-3,6-dimethylphenoxy)-4,6-dihydroxy-2,5-dimethyl-, .epsilon.-lactone Coquimboic acid Hypoprotocetraric acid |
| Wiley ID | 1337801 |