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(3E)-4-[7-bromo-3-(5-methylfuran-2-yl)-5-nitro-1H-indol-2-yl]but-3-en-2-one
SpectraBase Compound ID 8GmwDajjyxp
InChI InChI=1S/C17H13BrN2O4/c1-9(21)3-5-14-16(15-6-4-10(2)24-15)12-7-11(20(22)23)8-13(18)17(12)19-14/h3-8,19H,1-2H3/b5-3+
InChIKey COSSPENMXSMNRQ-HWKANZROSA-N
Mol Weight 389.21 g/mol
Molecular Formula C17H13BrN2O4
Exact Mass 388.00587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AK3QEA9s5d5
Name (3E)-4-[7-bromo-3-(5-methylfuran-2-yl)-5-nitro-1H-indol-2-yl]but-3-en-2-one
Alternate Name(s) (E)-4-(7-bromo-3-(5-methylfuran-2-yl)-5-nitro-1H-indol-2-yl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN2O4
InChI InChI=1S/C17H13BrN2O4/c1-9(21)3-5-14-16(15-6-4-10(2)24-15)12-7-11(20(22)23)8-13(18)17(12)19-14/h3-8,19H,1-2H3/b5-3+
InChIKey COSSPENMXSMNRQ-HWKANZROSA-N
Literature Reference DOI 10.1021/ol5018504
Molecular Weight 389.205 g/mol
SMILES [nH]1c(c(c2cc(cc(c12)Br)[N+](=O)[O-])-c1oc(cc1)C)\C=C\C(C)=O
SPLASH splash10-000f-1019000000-422d3458d7fca3ac8c72
Source of Spectrum A1-16-4150/SMS28-((E)_2e)
Wiley ID 1751061