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1-(3'-Acetylamino-2'-nitrophenyl)-4-[3'-(3"-bromopropyl)-2',5'-dimethoxyphenyl]-1-butene
SpectraBase Compound ID 8IoO6HQKprl
InChI InChI=1S/C23H27BrN2O5/c1-16(27)25-21-12-6-10-17(22(21)26(28)29)8-4-5-9-18-14-20(30-2)15-19(11-7-13-24)23(18)31-3/h4,6,8,10,12,14-15H,5,7,9,11,13H2,1-3H3,(H,25,27)/b8-4+
InChIKey LIMRKAFGLKOSBT-XBXARRHUSA-N
Mol Weight 491.38 g/mol
Molecular Formula C23H27BrN2O5
Exact Mass 490.110335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BFFEoazGAB
Name 1-(3'-Acetylamino-2'-nitrophenyl)-4-[3'-(3"-bromopropyl)-2',5'-dimethoxyphenyl]-1-butene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27BrN2O5
InChI InChI=1S/C23H27BrN2O5/c1-16(27)25-21-12-6-10-17(22(21)26(28)29)8-4-5-9-18-14-20(30-2)15-19(11-7-13-24)23(18)31-3/h4,6,8,10,12,14-15H,5,7,9,11,13H2,1-3H3,(H,25,27)/b8-4+
InChIKey LIMRKAFGLKOSBT-XBXARRHUSA-N
Molecular Weight 491.382 g/mol
SMILES N(c1c(N(=O)=O)c(\C=C\CCc2c(c(CCCBr)cc(c2)OC)OC)ccc1)C(=O)C
SPLASH splash10-0006-0910400000-23662dfd23b1c2db40f9
Source of Spectrum U-1995-1833-16
Synonyms N-(3-{(1E)-4-[3-(3-bromopropyl)-2,5-dimethoxyphenyl]-1-butenyl}-2-nitrophenyl)acetamide
Wiley ID 767571