| SpectraBase Spectrum ID |
KjVyl9udeLB |
| Name |
6-Bromo-N-methoxymethyl-3'-deimino-2',4'-bis(demethyl)-3'-oxoaplysinopsin |
| Alternate Name(s) |
(5E)-5-{[6-bromo-1-(methoxymethyl)-1H-indol-3-yl]methylene}-2,4-imidazolidinedione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12BrN3O3 |
| InChI |
InChI=1S/C14H12BrN3O3/c1-21-7-18-6-8(4-11-13(19)17-14(20)16-11)10-3-2-9(15)5-12(10)18/h2-6H,7H2,1H3,(H2,16,17,19,20)/b11-4+ |
| InChIKey |
QZNZLGIMWUHJAP-NYYWCZLTSA-N |
| Molecular Weight |
350.172 g/mol |
| SMILES |
N1C(\C(=C/c2c[n](COC)c3c2ccc(Br)c3)NC1=O)=O |
| SPLASH |
splash10-0udi-0905000000-4637777b967f848a9416 |
| Source of Spectrum |
F-50-2251-27 |
| Wiley ID |
1341236 |
