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2-Hydroxy-3,3-dimethyl-2-[4-(methylthio)phenyl]chroman-4-one
SpectraBase Compound ID B9QpqPaw3MS
InChI InChI=1S/C18H18O3S/c1-17(2)16(19)14-6-4-5-7-15(14)21-18(17,20)12-8-10-13(22-3)11-9-12/h4-11,20H,1-3H3
InChIKey LVLHOEFGOGGNOW-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C18H18O3S
Exact Mass 314.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQxvO7zl62x
Name 2-Hydroxy-3,3-dimethyl-2-[4-(methylthio)phenyl]chroman-4-one
Alternate Name(s) 2-Hydroxy-3,3-dimethyl-2-(4-(methylthio)phenyl)chroman-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3S
InChI InChI=1S/C18H18O3S/c1-17(2)16(19)14-6-4-5-7-15(14)21-18(17,20)12-8-10-13(22-3)11-9-12/h4-11,20H,1-3H3
InChIKey LVLHOEFGOGGNOW-UHFFFAOYSA-N
Molecular Weight 314.399 g/mol
SMILES OC1(C(C(=O)c2c(O1)cccc2)(C)C)c1ccc(cc1)SC
SPLASH splash10-0uk9-0901000000-0eece44f98be0b0e5816
Source of Spectrum U1-2013-7418-4h
Wiley ID 1736231