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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvpzLXNj5w8
Name 4-(1,3-benzodioxol-5-yl)-1-methoxy-2-methyl-1-(phenylthio)-2-butanol
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-1-methoxy-2-methyl-1-(phenylthio)butan-2-ol 4-(1,3-benzodioxol-5-yl)-1-methoxy-2-methyl-1-phenylsulfanyl-butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(C(Sc1ccccc1)OC)(CCc1cc2c(cc1)OCO2)C
SPLASH splash10-00kr-0960000000-3c9e723b3c11e863dae9
Source of Spectrum KC-0-539-0
Wiley ID 830036