| SpectraBase Spectrum ID |
8GXdG5iNKbZ |
| Name |
1-Bromo-8-ethoxycarbonyl-7,9-dimethylbenzopyrromethylene hydrobromide |
| Alternate Name(s) |
(1E)-3-bromo-1-{[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene}-1H-isoindolium bromide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18Br2N2O2 |
| InChI |
InChI=1S/C18H17BrN2O2.BrH/c1-4-23-18(22)16-10(2)14(20-11(16)3)9-15-12-7-5-6-8-13(12)17(19)21-15;/h5-9,20H,4H2,1-3H3;1H/b15-9+; |
| InChIKey |
OKDKETODWCZXPP-NSPIFIKESA-N |
| Molecular Weight |
454.162 g/mol |
| SMILES |
[Br-].[NH+]1=C(c2ccccc2\C1=C\c1c(c(c([nH]1)C)C(=O)OCC)C)Br |
| SPLASH |
splash10-00di-0009000000-5615bcbc6a7d12855e2b |
| Source of Spectrum |
KC-0-2464-6 |
| Wiley ID |
786603 |
