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3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2-(2-benzimidazolethio)ethyl-2H-1-benzopyran

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3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2-(2-benzimidazolethio)ethyl-2H-1-benzopyran
SpectraBase Compound ID E8waqTHwuUQ
InChI InChI=1S/C22H26N2O2S/c1-13-14(2)20-16(15(3)19(13)25)9-10-22(4,26-20)11-12-27-21-23-17-7-5-6-8-18(17)24-21/h5-8,25H,9-12H2,1-4H3,(H,23,24)
InChIKey QWRCLQDGIAHWMP-UHFFFAOYSA-N
Mol Weight 382.52 g/mol
Molecular Formula C22H26N2O2S
Exact Mass 382.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIH8TvFnwhD
Name 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2-(2-benzimidazolethio)ethyl-2H-1-benzopyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.171499257 u
Formula C22H26N2O2S
InChI InChI=1S/C22H26N2O2S/c1-13-14(2)20-16(15(3)19(13)25)9-10-22(4,26-20)11-12-27-21-23-17-7-5-6-8-18(17)24-21/h5-8,25H,9-12H2,1-4H3,(H,23,24)
InChIKey QWRCLQDGIAHWMP-UHFFFAOYSA-N
Molecular Weight 382.522 g/mol
SMILES C1(CCC=2C(O1)=C(C(=C(C2C)O)C)C)(C)CCSC1=NC2=CC=CC=C2N1