| SpectraBase Spectrum ID |
D6wXNdjLWRB |
| Name |
2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide |
| Alternate Name(s) |
2-{2-(4-chlorophenyl)-1-[2-(ethoxycarbonyl)benzyl]-2-oxoethyl}-3,4,5,6-tetrahydro-2H-1,2-diazepin-1-ium bromide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H26BrClN2O3 |
| InChI |
InChI=1S/C23H25ClN2O3.BrH/c1-2-29-23(28)20-9-5-4-8-18(20)16-21(26-15-7-3-6-14-25-26)22(27)17-10-12-19(24)13-11-17;/h4-5,8-14,21H,2-3,6-7,15-16H2,1H3;1H |
| InChIKey |
XFPSPCMOKPLNSM-UHFFFAOYSA-N |
| Molecular Weight |
493.829 g/mol |
| SMILES |
[Br-].[NH+]1=CCCCCN1C(C(c1ccc(Cl)cc1)=O)Cc1c(C(=O)OCC)cccc1 |
| SPLASH |
splash10-00di-0092100000-63210b6597b9132db517 |
| Source of Spectrum |
SO-0-526-7 |
| Wiley ID |
879058 |
![2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide](/api/spectrum/D6wXNdjLWRB/structure.png?h=300&w=458 "2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methyl]-5,6-dihydro-4H-diazepinium bromide")
