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2-Isopropyl-2-phenyl-1,3-dithiane
SpectraBase Compound ID LRWiYupppG
InChI InChI=1S/C13H18S2/c1-11(2)13(14-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey MCNDZWZDINDFEV-UHFFFAOYSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah0kERmvBVL
Name 2-Isopropyl-2-phenyl-1,3-dithiane
CAS Registry Number 5849-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-11(2)13(14-9-6-10-15-13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey MCNDZWZDINDFEV-UHFFFAOYSA-N
Molecular Weight 238.407 g/mol
SMILES CC(C)C1(c2ccccc2)SCCCS1
SPLASH splash10-0002-0900000000-09dc6259e01df6a78628
Source of Spectrum O-30-461-0
Synonyms 2-Phenyl-2-propan-2-yl-1,3-dithiane
Wiley ID 1240571