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(Z)-6-BROMO-4'-DEMETHYL-3'-N-METHYL-APLYSINOPSIN
SpectraBase Compound ID FcWmTjK3nve
InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5-
InChIKey LKVQIMAPGZMTJI-XGICHPGQSA-N
Mol Weight 333.19 g/mol
Molecular Formula C14H13BrN4O
Exact Mass 332.027274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7m7PETXlnbB
Name 4H-Imidazol-4-one, 5-[(6-bromo-1H-indol-3-yl)methylene]-3,5-dihydro-3-methyl-2-(methylamino)-, (E)-
CAS Registry Number 126149-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BrN4O
InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5-
InChIKey LKVQIMAPGZMTJI-XGICHPGQSA-N
Molecular Weight 333.189 g/mol
SMILES [nH]1c2c(c(\C=C\3C(N=C(N3C)NC)=O)c1)ccc(c2)Br
SPLASH splash10-001i-0159000000-82464c62959fcd5fce00
Source of Spectrum H-72-1450-0
Synonyms (5Z)-5-[(6-bromo-1H-indol-3-yl)methylene]-1-methyl-2-(methylamino)-1,5-dihydro-4H-imidazol-4-one (E)-1,5-Dihydro-5-[(6-bromo-1H-indol-3-yl)methylidene]-1-methyl-2-(methylamino)-4H-imidazol-4-one
Wiley ID 1329050