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(2E)-Methyl 3-(1-(2,5-dioxopyrrolidin-1-yl)isoquinolin-2(1H)-yl)acrylate
SpectraBase Compound ID AoiBDkP2duz
InChI InChI=1S/C17H16N2O4/c1-23-16(22)9-11-18-10-8-12-4-2-3-5-13(12)17(18)19-14(20)6-7-15(19)21/h2-5,8-11,17H,6-7H2,1H3/b11-9+
InChIKey TXIDGPSYYOZAGM-PKNBQFBNSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 327uZyYv9M1
Name (2E)-Methyl 3-(1-(2,5-dioxopyrrolidin-1-yl)isoquinolin-2(1H)-yl)acrylate
Alternate Name(s) (E)-methyl 3-(1-(2,5-dioxopyrrolidin-1-yl)isoquinolin-2(1H)-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c1-23-16(22)9-11-18-10-8-12-4-2-3-5-13(12)17(18)19-14(20)6-7-15(19)21/h2-5,8-11,17H,6-7H2,1H3/b11-9+
InChIKey TXIDGPSYYOZAGM-PKNBQFBNSA-N
Molecular Weight 312.325 g/mol
SMILES C1(N2C(CCC2=O)=O)N(\C=C\C(=O)OC)C=Cc2c1cccc2
SPLASH splash10-0059-1690000000-08fd7ab043f664407b3f
Source of Spectrum Y-51-1639-8k
Wiley ID 1741652