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N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(2-{4-[(2,2-dioxo-1,3-dioxa-2l6-thia-4-zincacyclobutan-4-yl)oxy]-3-formylphenyl}diazen-1-yl)benzene-1-sulfonamide

View entire compound with spectra: 1 MS (GC)

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(2-{4-[(2,2-dioxo-1,3-dioxa-2l6-thia-4-zincacyclobutan-4-yl)oxy]-3-formylphenyl}diazen-1-yl)benzene-1-sulfonamide
SpectraBase Compound ID DhoVnXzoaio
InChI InChI=1S/C18H16N4O5S.H2O4S.Zn/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;1-5(2,3)4;/h3-10,22,24H,1-2H3;(H2,1,2,3,4);/q;;+3/p-3
InChIKey NBRKDLRVORLURH-UHFFFAOYSA-K
Mol Weight 560.84 g/mol
Molecular Formula C18H15N4O9S2Zn
Exact Mass 558.957187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu7dGKUbJI0
Name N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(2-{4-[(2,2-dioxo-1,3-dioxa-2l6-thia-4-zincacyclobutan-4-yl)oxy]-3-formylphenyl}diazen-1-yl)benzene-1-sulfonamide
Appearance Dark yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N4O9S2Zn
InChI InChI=1S/C18H16N4O5S.H2O4S.Zn/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;1-5(2,3)4;/h3-10,22,24H,1-2H3;(H2,1,2,3,4);/q;;+3/p-3
InChIKey NBRKDLRVORLURH-UHFFFAOYSA-K
Instrument Name Finnigan MAT 8222 EX
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6813
Molecular Weight 560.839 g/mol
SMILES N(S(c1ccc(N=Nc2ccc(c(c2)C=O)O[Zn]2OS(=O)(=O)O2)cc1)(=O)=O)c1c(C)c(C)no1
SPLASH splash10-05fs-6986860000-5a1dd304bd32082e626b
Source of Spectrum AOC-36-SM9-MIBS-Zn
Wiley ID 1877516