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(Z)-2-(3-(4-Bromobenzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one
SpectraBase Compound ID JqK9wriaua2
InChI InChI=1S/C22H16BrNOS/c23-18-12-10-16(11-13-18)15-24-19-8-4-5-9-21(19)26-22(24)14-20(25)17-6-2-1-3-7-17/h1-14H,15H2/b22-14-
InChIKey HGXWQXKTYJTFKD-HMAPJEAMSA-N
Mol Weight 422.34 g/mol
Molecular Formula C22H16BrNOS
Exact Mass 421.013598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2nbGDVzwz1
Name (Z)-2-(3-(4-Bromobenzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one
Appearance Yellow solid
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Formula C22H16BrNOS
InChI InChI=1S/C22H16BrNOS/c23-18-12-10-16(11-13-18)15-24-19-8-4-5-9-21(19)26-22(24)14-20(25)17-6-2-1-3-7-17/h1-14H,15H2/b22-14-
InChIKey HGXWQXKTYJTFKD-HMAPJEAMSA-N
Instrument Name Finnigan MAT Triple-Quadrupol-spectrometer TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201916396
Molecular Weight 422.340 g/mol
SMILES c1cc(ccc1)C(=O)\C=C/1Sc2c(N1Cc1ccc(cc1)Br)cccc2
SPLASH splash10-00di-3952300000-70bcc0b2e4c416e1fefa
Source of Spectrum ACI-59-SM33-3i
Thin-Layer Chromatography Rf = 0.18 (n-hexane/acetone, 4:1)
Wiley ID 1857988