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dichloro[4-(2-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}diazen-1-yl)-2-formylphenoxy]iron dihydrate
SpectraBase Compound ID 9CG0zSuBhQx
InChI InChI=1S/C18H16N4O5S.2ClH.Fe.2O/c1-11-12(2)21-27-18(11)22-28(25,26)16-6-3-14(4-7-16)19-20-15-5-8-17(24)13(9-15)10-23;;;;;/h3-10,22,24H,1-2H3;2*1H;;;/q;;;+3;;/p-3
InChIKey GMZWMYSOYNXRQB-UHFFFAOYSA-K
Mol Weight 558.15 g/mol
Molecular Formula C18H15Cl2FeN4O7S
Exact Mass 556.938786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IidLPC5osm
Name dichloro[4-(2-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}diazen-1-yl)-2-formylphenoxy]iron dihydrate
Appearance Dark brown
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19Cl2FeN4O7S
InChI InChI=1S/C18H16N4O5S.2ClH.Fe.2O/c1-11-12(2)21-27-18(11)22-28(25,26)16-6-3-14(4-7-16)19-20-15-5-8-17(24)13(9-15)10-23;;;;;/h3-10,22,24H,1-2H3;2*1H;;;/q;;;+3;;/p-3
InChIKey GMZWMYSOYNXRQB-UHFFFAOYSA-K
Instrument Name Finnigan MAT 8222 EX
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6813
Molecular Weight 562.182 g/mol
SMILES O.N(S(c1ccc(N=Nc2ccc(c(c2)C=O)O[Fe](Cl)Cl)cc1)(=O)=O)c1c(C)c(C)no1.O
SPLASH splash10-03g1-4643950000-7cd153504a137397651d
Source of Spectrum AOC-36-SM6-MIBS-Fe
Wiley ID 1877513