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(E)-6-BROMO-3'-DEIMINO-2',4'-BIS-(DEMETHYL)-3'-OXO-APLYSINOPSIN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-6-BROMO-3'-DEIMINO-2',4'-BIS-(DEMETHYL)-3'-OXO-APLYSINOPSIN
SpectraBase Compound ID C6VV9zOhAnx
InChI InChI=1S/C12H8BrN3O2/c13-7-1-2-8-6(5-14-9(8)4-7)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3+
InChIKey LUYXYXVNRFZRHK-XCVCLJGOSA-N
Mol Weight 306.12 g/mol
Molecular Formula C12H8BrN3O2
Exact Mass 304.97999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y5aS6CUbUy
Name (5E)-5-[(6-bromanyl-1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CAS Registry Number 72853-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8BrN3O2
InChI InChI=1S/C12H8BrN3O2/c13-7-1-2-8-6(5-14-9(8)4-7)3-10-11(17)16-12(18)15-10/h1-5,14H,(H2,15,16,17,18)/b10-3+
InChIKey LUYXYXVNRFZRHK-XCVCLJGOSA-N
Molecular Weight 306.119 g/mol
SMILES N1C(\C(=C/c2c[nH]c3c2ccc(c3)Br)NC1=O)=O
SPLASH splash10-0a4i-0669000000-620596f9cf278b81fa2e
Source of Spectrum J-45-1439-0
Synonyms (5E)-5-[(6-bromo-1H-indol-3-yl)methylene]hydantoin (5E)-5-[(6-bromo-1H-indol-3-yl)methylene]imidazolidine-2,4-dione (5E)-5-[(6-bromo-1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
Wiley ID 1307133