For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-N-[4-[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]butyl]-2-cyano-prop-2-enamide
SpectraBase Compound ID CSLqTdUh8rt
InChI InChI=1S/C26H24Br2N4O6/c1-37-21-11-15(9-19(27)23(21)33)7-17(13-29)25(35)31-5-3-4-6-32-26(36)18(14-30)8-16-10-20(28)24(34)22(12-16)38-2/h7-12,33-34H,3-6H2,1-2H3,(H,31,35)(H,32,36)/b17-7+,18-8+
InChIKey MLVVVAQFZDHHMO-ZEELXFFVSA-N
Mol Weight 648.31 g/mol
Molecular Formula C26H24Br2N4O6
Exact Mass 646.006261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BMB6QPA3KAN
Name (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-N-[4-[[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]butyl]-2-cyano-prop-2-enamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24Br2N4O6
InChI InChI=1S/C26H24Br2N4O6/c1-37-21-11-15(9-19(27)23(21)33)7-17(13-29)25(35)31-5-3-4-6-32-26(36)18(14-30)8-16-10-20(28)24(34)22(12-16)38-2/h7-12,33-34H,3-6H2,1-2H3,(H,31,35)(H,32,36)/b17-7+,18-8+
InChIKey MLVVVAQFZDHHMO-ZEELXFFVSA-N
Molecular Weight 648.308 g/mol
SMILES N(CCCCNC(\C(=C\c1cc(c(c(c1)Br)O)OC)C#N)=O)C(\C(=C\c1cc(c(c(c1)Br)O)OC)C#N)=O
SPLASH splash10-0002-0000009000-7b0a295869e9b6955d95
Source of Spectrum E1-39-4910-17
Synonyms (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[4-[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]butyl]-2-cyano-acrylamide (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-[4-[[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]butyl]-2-cyano-prop-2-enamide (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[4-[[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]butyl]-2-cyano-2-propenamide
Wiley ID 1599088