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Diethyl (2Z)-2-[(1-Imino-1H-isoindol-3-yl)amino]but-2-enedioate
SpectraBase Compound ID DjHRILygBNY
InChI InChI=1S/C16H17N3O4/c1-3-22-13(20)9-12(16(21)23-4-2)18-15-11-8-6-5-7-10(11)14(17)19-15/h5-9H,3-4H2,1-2H3,(H2,17,18,19)/b12-9-
InChIKey QNEYRHHWKUYWPQ-XFXZXTDPSA-N
Mol Weight 315.33 g/mol
Molecular Formula C16H17N3O4
Exact Mass 315.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aq6hrIXYtso
Name Diethyl (2Z)-2-[(1-Imino-1H-isoindol-3-yl)amino]but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O4
InChI InChI=1S/C16H17N3O4/c1-3-22-13(20)9-12(16(21)23-4-2)18-15-11-8-6-5-7-10(11)14(17)19-15/h5-9H,3-4H2,1-2H3,(H2,17,18,19)/b12-9-
InChIKey QNEYRHHWKUYWPQ-XFXZXTDPSA-N
Literature Reference DOI 10.1002/hlca.201100257
Molecular Weight 315.329 g/mol
SMILES N(C1=NC(c2ccccc12)=N)\C(C(=O)OCC)=C/C(=O)OCC
SPLASH splash10-00os-1900000000-2ae3807005e3c2b6f37a
Source of Spectrum H-95-189-5b
Synonyms Diethyl 2-((1-imino-1H-isoindol-3-yl)amino)fumarate
Wiley ID 1786126