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N-(6-Bromo-4-(phenylimino)-1H-benzo[d][1,3]thiazine-2(4H)-ylidene)-4-nitroaniline
SpectraBase Compound ID E41zQVjE9h4
InChI InChI=1S/C20H13BrN4O2S/c21-13-6-11-18-17(12-13)19(22-14-4-2-1-3-5-14)28-20(24-18)23-15-7-9-16(10-8-15)25(26)27/h1-12H,(H,23,24)
InChIKey YDGLNFNAIOVVMK-UHFFFAOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C20H13BrN4O2S
Exact Mass 451.99426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O91RzoA6gb
Name N-(6-Bromo-4-(phenylimino)-1H-benzo[d][1,3]thiazine-2(4H)-ylidene)-4-nitroaniline
Appearance Pale yellow powder
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Formula C20H13BrN4O2S
InChI InChI=1S/C20H13BrN4O2S/c21-13-6-11-18-17(12-13)19(22-14-4-2-1-3-5-14)28-20(24-18)23-15-7-9-16(10-8-15)25(26)27/h1-12H,(H,23,24)
InChIKey YDGLNFNAIOVVMK-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201800493
Molecular Weight 453.314 g/mol
SMILES N1c2ccc(cc2C(SC1=Nc1ccc([N+]([O-])=O)cc1)=Nc1ccccc1)Br
SPLASH splash10-0umi-3903000000-a70632f7edd0a8b4c114
Source of Spectrum QA-66-1540-5h
Wiley ID 1838613