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1H-benzimidazole, 1-[2-(4-chlorophenoxy)ethyl]-2-[(phenylmethyl)sulfonyl]-
SpectraBase Compound ID 3lUTwECaP7Z
InChI InChI=1S/C22H19ClN2O3S/c23-18-10-12-19(13-11-18)28-15-14-25-21-9-5-4-8-20(21)24-22(25)29(26,27)16-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKey YKISOLIPEGCPEG-UHFFFAOYSA-N
Mol Weight 426.92 g/mol
Molecular Formula C22H19ClN2O3S
Exact Mass 426.080491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRbWg3Ys52v
Name 1H-Benzimidazole, 1-[2-(4-chlorophenoxy)ethyl]-2-[(phenylmethyl)sulfonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 426.080491351 u
Formula C22H19ClN2O3S
InChI InChI=1S/C22H19ClN2O3S/c23-18-10-12-19(13-11-18)28-15-14-25-21-9-5-4-8-20(21)24-22(25)29(26,27)16-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKey YKISOLIPEGCPEG-UHFFFAOYSA-N
Molecular Weight 426.918 g/mol
SMILES C1(S(CC=2C=CC=CC2)(=O)=O)=NC=2C=CC=CC2N1CCOC=1C=CC(=CC1)Cl