| SpectraBase Compound ID | C55D0856xQc |
|---|---|
| InChI | InChI=1S/C28H34O6/c1-3-4-5-6-7-14-25(31)34-21-16-15-18(17-24(21)32-2)26-27-19(29)10-8-12-22(27)33-23-13-9-11-20(30)28(23)26/h15-17,26H,3-14H2,1-2H3 |
| InChIKey | REDLBPLWHLVJAA-UHFFFAOYSA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C28H34O6 |
| Exact Mass | 466.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GmRJTiyAyp2 |
|---|---|
| Name | 4-(1,8-Dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H34O6 |
| InChI | InChI=1S/C28H34O6/c1-3-4-5-6-7-14-25(31)34-21-16-15-18(17-24(21)32-2)26-27-19(29)10-8-12-22(27)33-23-13-9-11-20(30)28(23)26/h15-17,26H,3-14H2,1-2H3 |
| InChIKey | REDLBPLWHLVJAA-UHFFFAOYSA-N |
| Molecular Weight | 466.574 g/mol |
| SMILES | C1=2C(C=3C(=O)CCCC3OC2CCCC1=O)c1cc(OC)c(cc1)OC(=O)CCCCCCC |
| SPLASH | splash10-0006-5459000000-cf7146c7a6ac77484ad7 |
| Synonyms | Octanoic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxyphenyl] ester [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxyphenyl] octanoate [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxy-phenyl] octanoate [4-[1,8-bis(oxidanylidene)-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl]-2-methoxy-phenyl] octanoate |
| Wiley ID | 1442904 |