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3,5-bis-(p-methoxyphenyl)benzo[1,2-d;5,4-d']diisothiazole-4,8-dione
SpectraBase Compound ID Fa9GUVVtt6t
InChI InChI=1S/C22H14N2O4S2/c1-27-13-7-3-11(4-8-13)17-15-19(25)16-18(12-5-9-14(28-2)10-6-12)24-30-22(16)20(26)21(15)29-23-17/h3-10H,1-2H3
InChIKey CJXGTADVQQYCJF-UHFFFAOYSA-N
Mol Weight 434.48 g/mol
Molecular Formula C22H14N2O4S2
Exact Mass 434.039499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QQgNB7v4xh
Name 3,5-bis-(p-methoxyphenyl)benzo[1,2-d;5,4-d']diisothiazole-4,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N2O4S2
InChI InChI=1S/C22H14N2O4S2/c1-27-13-7-3-11(4-8-13)17-15-19(25)16-18(12-5-9-14(28-2)10-6-12)24-30-22(16)20(26)21(15)29-23-17/h3-10H,1-2H3
InChIKey CJXGTADVQQYCJF-UHFFFAOYSA-N
Instrument Name Kratos MS902/MS50TC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.052
Molecular Weight 434.484 g/mol
SMILES c12C(c3c(C(c2snc1-c1ccc(cc1)OC)=O)snc3-c1ccc(cc1)OC)=O
SPLASH splash10-001i-0010900000-04765c1e6bb807ca89ad
Source of Spectrum ARK-2013-384-25b
Wiley ID 1853501