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(E)-Dimethyl 2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate
SpectraBase Compound ID BZswXJSu2o1
InChI InChI=1S/C22H22N2O4/c1-27-21(25)18(22(26)28-2)11-5-4-10-17-15-16-9-3-6-12-19(16)24(17)20-13-7-8-14-23-20/h3-9,12-15,18H,10-11H2,1-2H3/b5-4+
InChIKey ZXSKQFGRRCZRDC-SNAWJCMRSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6NG5STrYML
Name (E)-Dimethyl 2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate
Appearance Yellow oil
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Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-27-21(25)18(22(26)28-2)11-5-4-10-17-15-16-9-3-6-12-19(16)24(17)20-13-7-8-14-23-20/h3-9,12-15,18H,10-11H2,1-2H3/b5-4+
InChIKey ZXSKQFGRRCZRDC-SNAWJCMRSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201601778
Molecular Weight 378.428 g/mol
Reported Formula C22H22N2O4
SMILES C1=CC2=C(C=C1)N(C(=C2)C\C=C\CC(C(OC)=O)C(=O)OC)C1=NC=CC=C1
SPLASH splash10-05mk-0091000000-a2c591bbda0ead493b68
Source of Spectrum ACI-55-SM6-(E)-3aa (DOI: 10.1002/anie.201601778)
Wiley ID 1900936