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acetic acid, [[1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl]thio]-

View entire compound with spectra: 2 NMR

acetic acid, [[1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl]thio]-
SpectraBase Compound ID LLnAhKGQVP8
InChI InChI=1S/C18H18N2O3S/c1-13-5-4-6-14(11-13)23-10-9-20-16-8-3-2-7-15(16)19-18(20)24-12-17(21)22/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKey IRMKBFVKYQUHAR-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C18H18N2O3S
Exact Mass 342.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZZeFf5hONr
Name Acetic acid, [[1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.103813619 u
Formula C18H18N2O3S
InChI InChI=1S/C18H18N2O3S/c1-13-5-4-6-14(11-13)23-10-9-20-16-8-3-2-7-15(16)19-18(20)24-12-17(21)22/h2-8,11H,9-10,12H2,1H3,(H,21,22)
InChIKey IRMKBFVKYQUHAR-UHFFFAOYSA-N
Molecular Weight 342.413 g/mol
SMILES OC(CSC1=NC2=CC=CC=C2N1CCOC1=CC(C)=CC=C1)=O