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4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanoic acid
SpectraBase Compound ID 9T7hayJtK3a
InChI InChI=1S/C13H16N2O3/c1-14-10-7-6-9(4-3-5-12(16)17)8-11(10)15(2)13(14)18/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKey UBPPKJZOXZPPEF-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNAZQSpKHaU
Name 4-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanoic acid
Alternate Name(s) 4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)butanoic acid 4-(1,3-dimethyl-2-oxo-5-benzimidazolyl)butanoic acid 4-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)butanoic acid 4-(2-keto-1,3-dimethyl-benzimidazol-5-yl)butyric acid 4-[1,3-Dimethyl-2(3H)-oxo-5-benzimidazolyl]butyric acid
CAS Registry Number 7751-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-14-10-7-6-9(4-3-5-12(16)17)8-11(10)15(2)13(14)18/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKey UBPPKJZOXZPPEF-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES OC(CCCc1ccc2c(c1)N(C(N2C)=O)C)=O
SPLASH splash10-000i-6910000000-726c50e93ce8e29209f7
Wiley ID 1468266