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Dimethyl 2-[1-{methyl[(methylamino)carbonyl]amino}-2(1H)-isoquinolinyl]-2-butenedioate
SpectraBase Compound ID GMLCMXeE4My
InChI InChI=1S/C18H21N3O5/c1-19-18(24)20(2)16-13-8-6-5-7-12(13)9-10-21(16)14(17(23)26-4)11-15(22)25-3/h5-11,16H,1-4H3,(H,19,24)
InChIKey AOKJJFWTUFLEKV-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C18H21N3O5
Exact Mass 359.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G98yvrYcOi1
Name Dimethyl 2-[1-{methyl[(methylamino)carbonyl]amino}-2(1H)-isoquinolinyl]-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O5
InChI InChI=1S/C18H21N3O5/c1-19-18(24)20(2)16-13-8-6-5-7-12(13)9-10-21(16)14(17(23)26-4)11-15(22)25-3/h5-11,16H,1-4H3,(H,19,24)
InChIKey AOKJJFWTUFLEKV-UHFFFAOYSA-N
Molecular Weight 359.382 g/mol
SMILES N(C(N(C1N(C(=CC(=O)OC)C(=O)OC)C=Cc2ccccc12)C)=O)C
SPLASH splash10-003r-9940000000-ddfe5f7b81af334479c8
Source of Spectrum Y-49-157-4f
Wiley ID 1706599