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2-[3-(4-nitrobenzoyl)oxypropyl]-3H-benzimidazole-5-carboxylic acid
SpectraBase Compound ID CtrAFZ8NLMu
InChI InChI=1S/C18H15N3O6/c22-17(23)12-5-8-14-15(10-12)20-16(19-14)2-1-9-27-18(24)11-3-6-13(7-4-11)21(25)26/h3-8,10H,1-2,9H2,(H,19,20)(H,22,23)
InChIKey FTCZPILVOBEFAW-UHFFFAOYSA-N
Mol Weight 369.33 g/mol
Molecular Formula C18H15N3O6
Exact Mass 369.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TeJuYBkZu3
Name 2-[3-(4-nitrobenzoyl)oxypropyl]-3H-benzimidazole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O6
InChI InChI=1S/C18H15N3O6/c22-17(23)12-5-8-14-15(10-12)20-16(19-14)2-1-9-27-18(24)11-3-6-13(7-4-11)21(25)26/h3-8,10H,1-2,9H2,(H,19,20)(H,22,23)
InChIKey FTCZPILVOBEFAW-UHFFFAOYSA-N
Molecular Weight 369.333 g/mol
SMILES [nH]1c2c(cc(C(O)=O)cc2)nc1CCCOC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0uxr-6960000000-9a8e4b203940332d068c
Synonyms 2-[3-(4-nitrophenyl)carbonyloxypropyl]-3H-benzimidazole-5-carboxylic acid 2-[3-[(4-nitrophenyl)-oxomethoxy]propyl]-3H-benzimidazole-5-carboxylic acid
Wiley ID 1451735