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3-(4-Oxobut-1-en-4-yl)-7-(methoxycarbonyl)-1,2,4,5-tetrahydro-8H-[3,2-d]indoloazonine
SpectraBase Compound ID G308Lql1f9e
InChI InChI=1S/C20H22N2O3/c1-14(23)9-12-22-11-5-7-17(20(24)25-2)19-16(10-13-22)15-6-3-4-8-18(15)21-19/h3-4,6-9,12,21H,5,10-11,13H2,1-2H3/b12-9+,17-7+
InChIKey AQQDRPKCUHOYPZ-NNVJOTTFSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IpDrJRlSBi
Name 3-(4-Oxobut-1-en-4-yl)-7-(methoxycarbonyl)-1,2,4,5-tetrahydro-8H-[3,2-d]indoloazonine
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Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-14(23)9-12-22-11-5-7-17(20(24)25-2)19-16(10-13-22)15-6-3-4-8-18(15)21-19/h3-4,6-9,12,21H,5,10-11,13H2,1-2H3/b12-9+,17-7+
InChIKey AQQDRPKCUHOYPZ-NNVJOTTFSA-N
Molecular Weight 338.407 g/mol
SMILES [nH]1c2ccccc2c2CCN(CC\C=C/(c12)C(=O)OC)\C=C\C(=O)C
SPLASH splash10-00dj-9320000000-a136583ddd116c6fc774
Source of Spectrum J-60-1865-7
Synonyms (6E)-3-[(E)-3-oxobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylic acid methyl ester Methyl (6E)-3-[(E)-3-oxobut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate Methyl (6E)-3-[(E)-3-oxidanylidenebut-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate
Wiley ID 1333904