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[(N'-{[(2-amino-4-oxo-4H-chromen-3-yl)methylidene]amino}-N-phenylcarbamimidoyl)sulfanyl]cuprio acetate dihydrate
SpectraBase Compound ID LsYvEuP3r8P
InChI InChI=1S/C17H14N4O2S.C2H4O2.Cu.2H2O/c18-16-13(15(22)12-8-4-5-9-14(12)23-16)10-19-21-17(24)20-11-6-2-1-3-7-11;1-2(3)4;;;/h1-10H,18H2,(H2,20,21,24);1H3,(H,3,4);;2*1H2/q;;+2;;/p-2
InChIKey WMPIIIMIPDPRKO-UHFFFAOYSA-L
Mol Weight 495.997 g/mol
Molecular Formula C19H20CuN4O6S
Exact Mass 495.039953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34UuHmWK4xt
Name [(N'-{[(2-amino-4-oxo-4H-chromen-3-yl)methylidene]amino}-N-phenylcarbamimidoyl)sulfanyl]cuprio acetate dihydrate
Appearance Dark green
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20CuN4O6S
InChI InChI=1S/C17H14N4O2S.C2H4O2.Cu.2H2O/c18-16-13(15(22)12-8-4-5-9-14(12)23-16)10-19-21-17(24)20-11-6-2-1-3-7-11;1-2(3)4;;;/h1-10H,18H2,(H2,20,21,24);1H3,(H,3,4);;2*1H2/q;;+2;;/p-2
InChIKey WMPIIIMIPDPRKO-UHFFFAOYSA-L
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5763
Molecular Weight 495.997 g/mol
SMILES O.NC1=C(C=NN=C(S[Cu]OC(C)=O)Nc2ccccc2)C(c2c(O1)cccc2)=O.O
SPLASH splash10-0296-9500300000-a8a4dc931e0a855f8c77
Source of Spectrum AOC-34-SM1-1
Wiley ID 1855772