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4-(1,3-Benzodioxol-5-yl)-1-methoxy-2-methyl-1-(phenylthio)-2-butanol

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4-(1,3-Benzodioxol-5-yl)-1-methoxy-2-methyl-1-(phenylthio)-2-butanol
SpectraBase Compound ID Lh9WIc3ONr2
InChI InChI=1S/C19H22O4S/c1-19(20,18(21-2)24-15-6-4-3-5-7-15)11-10-14-8-9-16-17(12-14)23-13-22-16/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKey JWIQUIBTSQPLAI-UHFFFAOYSA-N
Mol Weight 346.44 g/mol
Molecular Formula C19H22O4S
Exact Mass 346.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzeprtlkweN
Name 4-(1,3-Benzodioxol-5-yl)-1-methoxy-2-methyl-1-(phenylthio)-2-butanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.123880358 u
Formula C19H22O4S
InChI InChI=1S/C19H22O4S/c1-19(20,18(21-2)24-15-6-4-3-5-7-15)11-10-14-8-9-16-17(12-14)23-13-22-16/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKey JWIQUIBTSQPLAI-UHFFFAOYSA-N
Molecular Weight 346.441 g/mol
SMILES C(C(CCC=1C=C2C(=CC1)OCO2)(O)C)(SC=1C=CC=CC1)OC