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Dimethyl (2Z)-2-[1'-(2"-Oxopropyl)isoquinolin-2(1H)-yl]but-2-enedioate
SpectraBase Compound ID 2OAfEVDTuV2
InChI InChI=1S/C18H19NO5/c1-12(20)10-15-14-7-5-4-6-13(14)8-9-19(15)16(18(22)24-3)11-17(21)23-2/h4-9,11,15H,10H2,1-3H3/b16-11-
InChIKey BFDFSRLLDORBMZ-WJDWOHSUSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHOnnl8Ryq4
Name Dimethyl (2Z)-2-[1'-(2"-Oxopropyl)isoquinolin-2(1H)-yl]but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-12(20)10-15-14-7-5-4-6-13(14)8-9-19(15)16(18(22)24-3)11-17(21)23-2/h4-9,11,15H,10H2,1-3H3/b16-11-
InChIKey BFDFSRLLDORBMZ-WJDWOHSUSA-N
Molecular Weight 329.352 g/mol
SMILES C(\C=C\(N1C(c2ccccc2C=C1)CC(=O)C)C(=O)OC)(=O)OC
SPLASH splash10-00fr-3691000000-3bc1c880ddead1720f35
Source of Spectrum H-91-847-2a
Synonyms (Z)-2-[1-(2-oxopropyl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester Dimethyl (Z)-2-[1-(2-oxopropyl)-1H-isoquinolin-2-yl]but-2-enedioate Dimethyl (Z)-2-(1-acetonyl-1H-isoquinolin-2-yl)but-2-enedioate Dimethyl (Z)-2-[1-(2-oxidanylidenepropyl)-1H-isoquinolin-2-yl]but-2-enedioate
Wiley ID 1693307