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1-Isopropyl-5-cyano-1H-benzimidazole-2-(para - benzoic) Acid
SpectraBase Compound ID 1bOuk64BbkK
InChI InChI=1S/C18H15N3O2/c1-11(2)21-16-8-3-12(10-19)9-15(16)20-17(21)13-4-6-14(7-5-13)18(22)23/h3-9,11H,1-2H3,(H,22,23)
InChIKey PXDSEPFPXGVKEW-UHFFFAOYSA-N
Mol Weight 305.34 g/mol
Molecular Formula C18H15N3O2
Exact Mass 305.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0jPUlHcBaB
Name 1-Isopropyl-5-cyano-1H-benzimidazole-2-(para - benzoic) Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O2
InChI InChI=1S/C18H15N3O2/c1-11(2)21-16-8-3-12(10-19)9-15(16)20-17(21)13-4-6-14(7-5-13)18(22)23/h3-9,11H,1-2H3,(H,22,23)
InChIKey PXDSEPFPXGVKEW-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-4184(200105)334_5_148
Molecular Weight 305.337 g/mol
SMILES OC(c1ccc(cc1)-c1nc2cc(ccc2[n]1C(C)C)C#N)=O
SPLASH splash10-0006-9200000000-365a3fcca81d18143323
Source of Spectrum APP-334-151-12
Synonyms 4-(5-cyano-1-propan-2-yl-2-benzimidazolyl)benzoic acid 4-(5-cyano-1-propan-2-ylbenzimidazol-2-yl)benzoic acid 4-(5-cyano-1-propan-2-yl-benzimidazol-2-yl)benzoic acid 4-(5-cyano-1-isopropyl-1H-benzo[d]imidazol-2-yl)benzoic acid
Wiley ID 1770552