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(E)-3-[3-(4-chlorophenyl)-4,6-dimethoxy-2-[(E)-3-oxoprop-1-enyl]-1H-indol-7-yl]prop-2-enal
SpectraBase Compound ID KVbj9IMFO5
InChI InChI=1S/C22H18ClNO4/c1-27-18-13-19(28-2)21-20(14-7-9-15(23)10-8-14)17(6-4-12-26)24-22(21)16(18)5-3-11-25/h3-13,24H,1-2H3/b5-3+,6-4+
InChIKey KGJRQCGFTRQMDH-GGWOSOGESA-N
Mol Weight 395.84 g/mol
Molecular Formula C22H18ClNO4
Exact Mass 395.092436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0PVLFquhqo
Name (E)-3-[3-(4-chlorophenyl)-4,6-dimethoxy-2-[(E)-3-oxoprop-1-enyl]-1H-indol-7-yl]prop-2-enal
Appearance Orange needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClNO4
InChI InChI=1S/C22H18ClNO4/c1-27-18-13-19(28-2)21-20(14-7-9-15(23)10-8-14)17(6-4-12-26)24-22(21)16(18)5-3-11-25/h3-13,24H,1-2H3/b5-3+,6-4+
InChIKey KGJRQCGFTRQMDH-GGWOSOGESA-N
Instrument Name VG Quattro
Ionization Type EI positive ion
Literature Reference DOI 10.24820/ark.5550190.p011.399
Molecular Weight 395.842 g/mol
SMILES [nH]1c(c(c2c(cc(c(c12)\C=C\C=O)OC)OC)-c1ccc(cc1)Cl)\C=C\C=O
SPLASH splash10-03fs-0209000000-68d8b7d3655c1db56ab7
Source of Spectrum ARK-2020-181-13
Wiley ID 1860402