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Benzyl 2-[(4-hydroxy-6-methyl-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinolin-3-yl)methylidene]hydrazinecarbodithioate
SpectraBase Compound ID Dtgamdp3kTs
InChI InChI=1S/C22H17N3O4S2/c1-25-16-10-6-5-9-14(16)19-17(20(25)27)18(26)15(21(28)29-19)11-23-24-22(30)31-12-13-7-3-2-4-8-13/h2-11,26H,12H2,1H3,(H,24,30)
InChIKey VNIIMEMGLZHSAJ-UHFFFAOYSA-N
Mol Weight 451.52 g/mol
Molecular Formula C22H17N3O4S2
Exact Mass 451.066048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6KSJqun3eS
Name Benzyl 2-[(4-hydroxy-6-methyl-2,5-dioxo-5,6-dihydro-2H-pyrano[3,2-c]quinolin-3-yl)methylidene]hydrazinecarbodithioate
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O4S2
InChI InChI=1S/C22H17N3O4S2/c1-25-16-10-6-5-9-14(16)19-17(20(25)27)18(26)15(21(28)29-19)11-23-24-22(30)31-12-13-7-3-2-4-8-13/h2-11,26H,12H2,1H3,(H,24,30)
InChIKey VNIIMEMGLZHSAJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3353
Molecular Weight 451.515 g/mol
SMILES N(C(SCc1ccccc1)=S)N=CC1=C(C2=C(OC1=O)c1c(N(C2=O)C)cccc1)O
SPLASH splash10-0006-9220000000-faf70298c833c5d18dc2
Source of Spectrum Y-55-2841-15
Wiley ID 1878955