![4-(7-keto-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester](/api/spectrum/EEFAgFGPQSZ/structure.png?h=300&w=458 "4-(7-keto-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester")
| SpectraBase Compound ID | AiAhyYOga56 |
|---|---|
| InChI | InChI=1S/C27H24N2O3/c1-32-27(31)19-13-11-18(12-14-19)26-25-23(28-21-9-5-6-10-22(21)29-26)15-20(16-24(25)30)17-7-3-2-4-8-17/h2-14,20,26,28-29H,15-16H2,1H3 |
| InChIKey | XLGWEVGPVOWTDJ-UHFFFAOYSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C27H24N2O3 |
| Exact Mass | 424.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EEFAgFGPQSZ |
|---|---|
| Name | 4-(7-keto-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester |
| Alternate Name(s) | 4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate Methyl 4-(7-oxidanylidene-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate Methyl 4-(7-oxo-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H24N2O3 |
| InChI | InChI=1S/C27H24N2O3/c1-32-27(31)19-13-11-18(12-14-19)26-25-23(28-21-9-5-6-10-22(21)29-26)15-20(16-24(25)30)17-7-3-2-4-8-17/h2-14,20,26,28-29H,15-16H2,1H3 |
| InChIKey | XLGWEVGPVOWTDJ-UHFFFAOYSA-N |
| Molecular Weight | 424.500 g/mol |
| SMILES | N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1ccc(C(=O)OC)cc1 |
| SPLASH | splash10-000i-2490100000-adf70d791a4367571c07 |
| Wiley ID | 1454570 |