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(E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-keto-2-methoxy-ethylidene)-3-pyridyl]acrylic acid methyl ester
SpectraBase Compound ID KELx9R4Hmk5
InChI InChI=1S/C22H22N2O4/c1-27-21(25)10-8-16-7-9-18(13-22(26)28-2)24(15-16)12-11-17-14-23-20-6-4-3-5-19(17)20/h3-10,13-15,23H,11-12H2,1-2H3/b10-8+,18-13+
InChIKey AOGGUXBKIFIMOB-ZCQNHDJMSA-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 CG6UaNszGCa
Name (E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-keto-2-methoxy-ethylidene)-3-pyridyl]acrylic acid methyl ester
CAS Registry Number 89486-64-6
Comments Less than 3 mono-isotopic peaks
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Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-27-21(25)10-8-16-7-9-18(13-22(26)28-2)24(15-16)12-11-17-14-23-20-6-4-3-5-19(17)20/h3-10,13-15,23H,11-12H2,1-2H3/b10-8+,18-13+
InChIKey AOGGUXBKIFIMOB-ZCQNHDJMSA-N
Molecular Weight 378.428 g/mol
SMILES [nH]1c2c(c(c1)CCN1\C(=C\C(=O)OC)C=CC(=C1)\C=C\C(=O)OC)cccc2
SPLASH splash10-0006-0900000000-ac5f16cd836c42332b45
Source of Spectrum J-49-1833-0
Synonyms (E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-methoxy-2-oxoethylidene)-3-pyridinyl]-2-propenoic acid methyl ester methyl (E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-methoxy-2-oxidanylidene-ethylidene)pyridin-3-yl]prop-2-enoate methyl (E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-methoxy-2-oxo-ethylidene)-3-pyridyl]prop-2-enoate methyl (E)-3-[(6E)-1-[2-(1H-indol-3-yl)ethyl]-6-(2-methoxy-2-oxoethylidene)pyridin-3-yl]prop-2-enoate
Wiley ID 1358846