![4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate](/api/spectrum/Ii1ilWsh3FK/structure.png?h=300&w=458 "4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate")
| SpectraBase Compound ID | 8xKtxsnY9zm |
|---|---|
| InChI | InChI=1S/C30H30N2O6/c1-17(33)38-26-12-10-19(16-28(26)37-4)30-29-23(31-21-7-5-6-8-22(21)32-30)13-20(14-24(29)34)18-9-11-25(35-2)27(15-18)36-3/h5-12,15-16,20,30-32H,13-14H2,1-4H3 |
| InChIKey | KWQOLQPLGWSUDU-UHFFFAOYSA-N |
| Mol Weight | 514.58 g/mol |
| Molecular Formula | C30H30N2O6 |
| Exact Mass | 514.210387 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ii1ilWsh3FK |
|---|---|
| Name | 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate |
| Alternate Name(s) | Acetic acid [4-[9-(3,4-dimethoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxyphenyl] ester [4-[9-(3,4-dimethoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxyphenyl] acetate [4-[9-(3,4-dimethoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxy-phenyl] acetate [4-[9-(3,4-dimethoxyphenyl)-7-oxidanylidene-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]-2-methoxy-phenyl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H30N2O6 |
| InChI | InChI=1S/C30H30N2O6/c1-17(33)38-26-12-10-19(16-28(26)37-4)30-29-23(31-21-7-5-6-8-22(21)32-30)13-20(14-24(29)34)18-9-11-25(35-2)27(15-18)36-3/h5-12,15-16,20,30-32H,13-14H2,1-4H3 |
| InChIKey | KWQOLQPLGWSUDU-UHFFFAOYSA-N |
| Molecular Weight | 514.578 g/mol |
| SMILES | N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1cc(OC)c(cc1)OC(=O)C |
| SPLASH | splash10-0005-6859110000-67629a6587fdb97a1d42 |
| Wiley ID | 1454563 |