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3-((2-methyl-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)-but-3-en-2-one
SpectraBase Compound ID 6IdgIZmohSU
InChI InChI=1S/C20H18N2O3/c1-13-18(17-8-4-5-9-19(17)21-13)12-16(14(2)23)11-15-7-3-6-10-20(15)22(24)25/h3-11,21H,12H2,1-2H3/b16-11+
InChIKey KMFOPGDGWLQQST-LFIBNONCSA-N
Mol Weight 334.38 g/mol
Molecular Formula C20H18N2O3
Exact Mass 334.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hoIiNCVfnw
Name 3-((2-methyl-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)-but-3-en-2-one
Alternate Name(s) (E)-3-((2-methyl-1H-indol-3-yl)methyl)-4-(2-nitrophenyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O3
InChI InChI=1S/C20H18N2O3/c1-13-18(17-8-4-5-9-19(17)21-13)12-16(14(2)23)11-15-7-3-6-10-20(15)22(24)25/h3-11,21H,12H2,1-2H3/b16-11+
InChIKey KMFOPGDGWLQQST-LFIBNONCSA-N
Molecular Weight 334.375 g/mol
SMILES [nH]1c(c(c2c1cccc2)C\C(=C/c1c(cccc1)[N+](=O)[O-])C(=O)C)C
SPLASH splash10-005c-0974000000-d02cf36f1b9feab62f71
Source of Spectrum J-77-8459-3b
Wiley ID 1747002