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2-[3-(4-Bromophenyl)-4-(2-methoxyphenylthiazol-2-ylidene)cyanomethyl]benzimidazole-5-carboxylic acid
SpectraBase Compound ID 3eFlLJKgzkw
InChI InChI=1S/C26H17BrN4O3S/c1-34-23-5-3-2-4-18(23)22-14-35-25(31(22)17-9-7-16(27)8-10-17)19(13-28)24-29-20-11-6-15(26(32)33)12-21(20)30-24/h2-12,14H,1H3,(H,29,30)(H,32,33)/b25-19-
InChIKey DNZARYLBSJNNSK-PLRJNAJWSA-N
Mol Weight 545.41 g/mol
Molecular Formula C26H17BrN4O3S
Exact Mass 544.020475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dvTLjvAeuE
Name 2-[3-(4-Bromophenyl)-4-(2-methoxyphenylthiazol-2-ylidene)cyanomethyl]benzimidazole-5-carboxylic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17BrN4O3S
InChI InChI=1S/C26H17BrN4O3S/c1-34-23-5-3-2-4-18(23)22-14-35-25(31(22)17-9-7-16(27)8-10-17)19(13-28)24-29-20-11-6-15(26(32)33)12-21(20)30-24/h2-12,14H,1H3,(H,29,30)(H,32,33)/b25-19-
InChIKey DNZARYLBSJNNSK-PLRJNAJWSA-N
Molecular Weight 545.411 g/mol
SMILES OC(c1cc2nc(\C(=C\3N(C(c4c(OC)cccc4)=CS3)c3ccc(cc3)Br)C#N)[nH]c2cc1)=O
SPLASH splash10-0002-0000090000-db32a2f232adc625961d
Source of Spectrum F2-45-2954-7c
Wiley ID 1689333