| SpectraBase Compound ID | 1BtMAA3sRZI |
|---|---|
| InChI | InChI=1S/C38H34O12/c1-19(11-23-13-21-15-25(45-3)17-29(47-5)31(21)35(41)33(23)39)49-37(43)27-9-7-8-10-28(27)38(44)50-20(2)12-24-14-22-16-26(46-4)18-30(48-6)32(22)36(42)34(24)40/h7-10,13-20H,11-12H2,1-6H3/t19-,20-/m1/s1 |
| InChIKey | NXAKYWXNNCAJAY-WOJBJXKFSA-N |
| Mol Weight | 682.7 g/mol |
| Molecular Formula | C38H34O12 |
| Exact Mass | 682.205027 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Ts08TTAxF5 |
|---|---|
| Name | Phthaloyl tethered Bis-o-naphthoquinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H34O12 |
| InChI | InChI=1S/C38H34O12/c1-19(11-23-13-21-15-25(45-3)17-29(47-5)31(21)35(41)33(23)39)49-37(43)27-9-7-8-10-28(27)38(44)50-20(2)12-24-14-22-16-26(46-4)18-30(48-6)32(22)36(42)34(24)40/h7-10,13-20H,11-12H2,1-6H3/t19-,20-/m1/s1 |
| InChIKey | NXAKYWXNNCAJAY-WOJBJXKFSA-N |
| Molecular Weight | 682.678 g/mol |
| SMILES | C1(c2c(cc(cc2OC)OC)C=C(C1=O)C[C@](OC(c1c(C(O[C@@](CC=2C(C(=O)c3c(C2)cc(OC)cc3OC)=O)(C)[H])=O)cccc1)=O)(C)[H])=O |
| SPLASH | splash10-0002-0290000000-7037174b22001c4e0dc1 |
| Source of Spectrum | J-66-1307-35 |
| Synonyms | benzene-1,2-dicarboxylic acid bis[(1R)-2-(3,4-diketo-5,7-dimethoxy-2-naphthyl)-1-methyl-ethyl]ester benzene-1,2-dicarboxylic acid bis[(2R)-1-(5,7-dimethoxy-3,4-dioxo-2-naphthalenyl)propan-2-yl]ester bis[(1R)-2-(5,7-dimethoxy-3,4-dioxo-2-naphthyl)-1-methyl-ethyl]benzene-1,2-dicarboxylate bis[(1R)-2-(5,7-dimethoxy-3,4-dioxo-3,4-dihydro-2-naphthalenyl)-1-methylethyl]phthalate bis[(2R)-1-(5,7-dimethoxy-3,4-dioxonaphthalen-2-yl)propan-2-yl]benzene-1,2-dicarboxylate bis[(2R)-1-[5,7-dimethoxy-3,4-bis(oxidanylidene)naphthalen-2-yl]propan-2-yl]benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid bis[(2R)-1-(5,7-dimethoxy-3,4-dioxo-2-naphthalenyl)propan-2-yl] ester bis[(2R)-1-(5,7-dimethoxy-3,4-dioxonaphthalen-2-yl)propan-2-yl] benzene-1,2-dicarboxylate bis[(1R)-2-(5,7-dimethoxy-3,4-dioxo-2-naphthyl)-1-methyl-ethyl] benzene-1,2-dicarboxylate bis[(2R)-1-[5,7-dimethoxy-3,4-bis(oxidanylidene)naphthalen-2-yl]propan-2-yl] benzene-1,2-dicarboxylate |
| Wiley ID | 1534517 |