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(Z)-Dimethyl 2-{4-[7-ethyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate
SpectraBase Compound ID 2IMjs5Xhk5y
InChI InChI=1S/C24H26N2O4/c1-4-17-10-9-11-18-16-19(26(22(17)18)21-14-7-8-15-25-21)12-5-6-13-20(23(27)29-2)24(28)30-3/h5-11,14-16,20H,4,12-13H2,1-3H3/b6-5-
InChIKey SVWZORHXEWLLMX-WAYWQWQTSA-N
Mol Weight 406.48 g/mol
Molecular Formula C24H26N2O4
Exact Mass 406.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIFNsjv1dgi
Name (Z)-Dimethyl 2-{4-[7-ethyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate
Appearance Yellow oil
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Exact Mass 406.189257321 u
Formula C24H26N2O4
InChI InChI=1S/C24H26N2O4/c1-4-17-10-9-11-18-16-19(26(22(17)18)21-14-7-8-15-25-21)12-5-6-13-20(23(27)29-2)24(28)30-3/h5-11,14-16,20H,4,12-13H2,1-3H3/b6-5-
InChIKey SVWZORHXEWLLMX-WAYWQWQTSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601778
Molecular Weight 406.482 g/mol
Reported Formula C24H26N2O4
SMILES C=1C=C(C=2N(C=3C=CC=CN3)C(C\C=C/CC(C(=O)OC)C(OC)=O)=CC2C1)CC
SPLASH splash10-054k-0090200000-1d84207a269c9f775d4c
Source of Spectrum ACI-55-SM12-(Z)-3ia (DOI: 10.1002/anie.201601778)
Wiley ID 1900947