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3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid

View entire compound with spectra: 2 NMR

3-(2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
SpectraBase Compound ID 8ub8gJSXHH8
InChI InChI=1S/C19H20N2O3S/c1-14-6-2-5-9-17(14)24-12-13-25-19-20-15-7-3-4-8-16(15)21(19)11-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)
InChIKey FTDDTOVSYOMCTM-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GU9ez1omHFm
Name 3-(2-{[2-(2-Methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.119463683 u
Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c1-14-6-2-5-9-17(14)24-12-13-25-19-20-15-7-3-4-8-16(15)21(19)11-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)
InChIKey FTDDTOVSYOMCTM-UHFFFAOYSA-N
Molecular Weight 356.440 g/mol
SMILES OC(CCN1C(=NC=2C=CC=CC12)SCCOC=1C(C)=CC=CC1)=O