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2-Methyl-2-(3-hydroxyphenyl)-1,3-dithiane
SpectraBase Compound ID 3Od0fNn4G8Z
InChI InChI=1S/C11H14OS2/c1-11(13-6-3-7-14-11)9-4-2-5-10(12)8-9/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey CBIFVJNDHMDBTG-UHFFFAOYSA-N
Mol Weight 226.35 g/mol
Molecular Formula C11H14OS2
Exact Mass 226.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aNwioUTb3X
Name 2-Methyl-2-(3-hydroxyphenyl)-1,3-dithiane
CAS Registry Number 164223-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14OS2
InChI InChI=1S/C11H14OS2/c1-11(13-6-3-7-14-11)9-4-2-5-10(12)8-9/h2,4-5,8,12H,3,6-7H2,1H3
InChIKey CBIFVJNDHMDBTG-UHFFFAOYSA-N
Molecular Weight 226.352 g/mol
SMILES Oc1cccc(c1)C1(C)SCCCS1
SPLASH splash10-0fbi-2940000000-9c9f9bc8b51b526c829e
Source of Spectrum O-30-461-0
Synonyms 3-(2-Methyl-1,3-dithian-2-yl)phenol
Wiley ID 1226999