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2-Isopropyl-2-(3'-oxo-1'-butenyl)-1,3-dithiane
SpectraBase Compound ID KI5nRrtFE7K
InChI InChI=1S/C11H18OS2/c1-9(2)11(6-5-10(3)12)13-7-4-8-14-11/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKey OODZXFSGTQEYAD-AATRIKPKSA-N
Mol Weight 230.38 g/mol
Molecular Formula C11H18OS2
Exact Mass 230.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMY9eg6wfWr
Name 2-Isopropyl-2-(3'-oxo-1'-butenyl)-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18OS2
InChI InChI=1S/C11H18OS2/c1-9(2)11(6-5-10(3)12)13-7-4-8-14-11/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChIKey OODZXFSGTQEYAD-AATRIKPKSA-N
Molecular Weight 230.384 g/mol
SMILES C1(\C=C\C(=O)C)(SCCCS1)C(C)C
SPLASH splash10-000i-0910000000-333ac31792ac6f0ff766
Source of Spectrum OP-26-455-22
Synonyms (3E)-4-(2-isopropyl-1,3-dithian-2-yl)-3-buten-2-one
Wiley ID 850566