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propanoic acid, 3-[[1-[2-(3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl]thio]-
SpectraBase Compound ID 1rr71aLGbwH
InChI InChI=1S/C19H20N2O3S/c1-14-5-4-6-15(13-14)24-11-10-21-17-8-3-2-7-16(17)20-19(21)25-12-9-18(22)23/h2-8,13H,9-12H2,1H3,(H,22,23)
InChIKey ZWORVFKSQCRWEW-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 IsEjYZhxmdU
Name Propanoic acid, 3-[[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 356.119463683 u
Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c1-14-5-4-6-15(13-14)24-11-10-21-17-8-3-2-7-16(17)20-19(21)25-12-9-18(22)23/h2-8,13H,9-12H2,1H3,(H,22,23)
InChIKey ZWORVFKSQCRWEW-UHFFFAOYSA-N
Molecular Weight 356.440 g/mol
SMILES OC(CCSC1=NC=2C=CC=CC2N1CCOC=1C=C(C)C=CC1)=O