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Dimethyl (E)-2-{4-[1-(4-methylpyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate
SpectraBase Compound ID EwMEIWveLTN
InChI InChI=1S/C23H24N2O4/c1-16-12-13-24-21(14-16)25-18(15-17-8-4-7-11-20(17)25)9-5-6-10-19(22(26)28-2)23(27)29-3/h4-8,11-15,19H,9-10H2,1-3H3/b6-5+
InChIKey PYPRWOHSOOXXJT-AATRIKPKSA-N
Mol Weight 392.46 g/mol
Molecular Formula C23H24N2O4
Exact Mass 392.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgGSElVHJPw
Name Dimethyl (E)-2-{4-[1-(4-methylpyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate
Appearance Yellow oil
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Exact Mass 392.173607257 u
Formula C23H24N2O4
InChI InChI=1S/C23H24N2O4/c1-16-12-13-24-21(14-16)25-18(15-17-8-4-7-11-20(17)25)9-5-6-10-19(22(26)28-2)23(27)29-3/h4-8,11-15,19H,9-10H2,1-3H3/b6-5+
InChIKey PYPRWOHSOOXXJT-AATRIKPKSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701191
Molecular Weight 392.455 g/mol
Quality 202
Reported Formula C23H24N2O4
SMILES COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C=CC=C2)C1=NC=CC(=C1)C)=O
SPLASH splash10-03l0-0091000000-b888aae7f6d01eafabac
Sample Comments E/Z = 6:1
Source of Spectrum QE-23-SM15-(E)-3la (DOI: 10.1002/chem.201701191)
Wiley ID 1905458