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2-METHYL-2-PHENYL-1,3-DITHIAN
SpectraBase Compound ID 8xroi4Pp0je
InChI InChI=1S/C11H14S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey CAVORIBXCDTNBO-UHFFFAOYSA-N
Mol Weight 210.35 g/mol
Molecular Formula C11H14S2
Exact Mass 210.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeaRlDs5tjx
Name 1,3-Dithiane, 2-methyl-2-phenyl-
Alternate Name(s) m-Dithiane, 2-methyl-2-phenyl- 2-Methyl-2-phenyl-1,3-dithiane 2-Methyl-2-phenyl-m-dithiane Acetophenone trimethylene dithioketal Acetophenone, cyclic trimethylene mercaptole NSC 47056
CAS Registry Number 6331-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14S2
InChI InChI=1S/C11H14S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey CAVORIBXCDTNBO-UHFFFAOYSA-N
Molecular Weight 210.353 g/mol
SMILES CC1(SCCCS1)c1ccccc1
SPLASH splash10-0fki-1910000000-15dfb32f1469b7b96356
Source of Spectrum O-30-461-0
Wiley ID 1208958