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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 J9bXxC5C1Sj
Name (Z)-2-(3-(4-Bromobenzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one
Appearance Yellow solid
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Exact Mass 421.013598312 u
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 TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Molecular Weight 422.340 g/mol
Quality 369
SMILES C1=CC(=CC=C1)C(=O)\C=C/1SC2=C(N1CC1=CC=C(C=C1)Br)C=CC=C2
SPLASH splash10-00di-3952400000-273377a0d7dd86bbf42d
Source of Spectrum QE-28-SM110-3ai (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.18 (n-hexane/acetone, 4:1)
Wiley ID 1900753