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6-Allyl-(4-methoxyphenylamino)-3-(ethoxycarbonyl)-5,8-isoquinolinequinone
SpectraBase Compound ID 9uL1Wd5WBNW
InChI InChI=1S/C22H20N2O5/c1-4-6-13-11-18(25)19-16(20(13)26)12-17(22(27)29-5-2)24-21(19)23-14-7-9-15(28-3)10-8-14/h4,7-12H,1,5-6H2,2-3H3,(H,23,24)
InChIKey OXBIPSXWUOGHQK-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sXPSeQyHEa
Name 6-Allyl-(4-methoxyphenylamino)-3-(ethoxycarbonyl)-5,8-isoquinolinequinone
CAS Registry Number 129708-18-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-4-6-13-11-18(25)19-16(20(13)26)12-17(22(27)29-5-2)24-21(19)23-14-7-9-15(28-3)10-8-14/h4,7-12H,1,5-6H2,2-3H3,(H,23,24)
InChIKey OXBIPSXWUOGHQK-UHFFFAOYSA-N
Molecular Weight 392.411 g/mol
SMILES N(c1c2c(C(=O)C(=CC2=O)CC=C)cc(n1)C(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-05fr-0900000000-c29434fb67848cfb2a11
Source of Spectrum J-55-6144-6
Synonyms Ethyl 6-allyl-1-(4-methoxyanilino)-5,8-dioxo-5,8-dihydro-3-isoquinolinecarboxylate
Wiley ID 1365816