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1,4-Naphthalenedione, 2-chloro-3-[3-methyl-4-[2-phenyldiazenyl]phenoxy]-
SpectraBase Compound ID 1kxPADBYuDU
InChI InChI=1S/C20H19ClN2O3S/c1-4-25-20(24)18(26-15-8-5-13(2)6-9-15)19(27-3)23-17-10-7-14(12-22)11-16(17)21/h5-11,23H,4H2,1-3H3/b19-18+
InChIKey AUNPEXJFQXSRKP-VHEBQXMUSA-N
Mol Weight 402.9 g/mol
Molecular Formula C20H19ClN2O3S
Exact Mass 402.080491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Zs35i27lQM
Name 1,4-Naphthalenedione, 2-chloro-3-[3-methyl-4-[2-phenyldiazenyl]phenoxy]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClN2O3S
InChI InChI=1S/C20H19ClN2O3S/c1-4-25-20(24)18(26-15-8-5-13(2)6-9-15)19(27-3)23-17-10-7-14(12-22)11-16(17)21/h5-11,23H,4H2,1-3H3/b19-18+
InChIKey AUNPEXJFQXSRKP-VHEBQXMUSA-N
Molecular Weight 402.896 g/mol
SMILES N(\C(=C\(C(=O)OCC)Oc1ccc(cc1)C)SC)c1ccc(cc1Cl)C#N
SPLASH splash10-0a4i-6691100000-6534eb1be781d1a7fb2e
Source of Spectrum JX-2015-4-35
Synonyms Ethyl 3-((2-chloro-4-cyanophenyl)amino)-3-(methylthio)-2-(p-tolyloxy)acrylate 3-(2-Chloro-4-cyanoanilino)-2-(4-methylphenoxy)-3-(methylthio)-2-propenoic acid ethyl ester Ethyl 3-(2-chloro-4-cyanoanilino)-2-(4-methylphenoxy)-3-methylsulfanylprop-2-enoate Ethyl 3-(2-chloro-4-cyano-anilino)-2-(4-methylphenoxy)-3-methylsulfanyl-prop-2-enoate Ethyl 3-[(2-chloranyl-4-cyano-phenyl)amino]-2-(4-methylphenoxy)-3-methylsulfanyl-prop-2-enoate
Wiley ID 1725491