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(3E)-4-(5-chloro-3-phenyl-1H-indol-2-yl)but-3-en-2-one
SpectraBase Compound ID GxGPRYDH09d
InChI InChI=1S/C18H14ClNO/c1-12(21)7-9-17-18(13-5-3-2-4-6-13)15-11-14(19)8-10-16(15)20-17/h2-11,20H,1H3/b9-7+
InChIKey GQNNPCMSXNXPFY-VQHVLOKHSA-N
Mol Weight 295.77 g/mol
Molecular Formula C18H14ClNO
Exact Mass 295.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HP1KO7S16Gd
Name (3E)-4-(5-chloro-3-phenyl-1H-indol-2-yl)but-3-en-2-one
Alternate Name(s) (E)-4-(5-chloro-3-phenyl-1H-indol-2-yl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClNO
InChI InChI=1S/C18H14ClNO/c1-12(21)7-9-17-18(13-5-3-2-4-6-13)15-11-14(19)8-10-16(15)20-17/h2-11,20H,1H3/b9-7+
InChIKey GQNNPCMSXNXPFY-VQHVLOKHSA-N
Literature Reference DOI 10.1021/ol5018504
Molecular Weight 295.769 g/mol
SMILES [nH]1c(c(c2c1ccc(c2)Cl)-c1ccccc1)\C=C\C(C)=O
SPLASH splash10-014j-0090000000-d311783720a6bba6cebc
Source of Spectrum A1-16-4150/SMS29-((E)_2h)
Wiley ID 1751064