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1,3-Dithiane-2-carboxaldehyde, 2-octyl-
SpectraBase Compound ID LyfkONLnUJE
InChI InChI=1S/C13H24OS2/c1-2-3-4-5-6-7-9-13(12-14)15-10-8-11-16-13/h12H,2-11H2,1H3
InChIKey GQQIPWZTJXSQJU-UHFFFAOYSA-N
Mol Weight 260.45 g/mol
Molecular Formula C13H24OS2
Exact Mass 260.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3oPJYdzfTW
Name 1,3-Dithiane-2-carboxaldehyde, 2-octyl-
Alternate Name(s) 2-Octyl-1,3-dithiane-2-carbaldehyde 2-Octyl-1,3-dithiane-2-carboxaldehyde
CAS Registry Number 84016-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24OS2
InChI InChI=1S/C13H24OS2/c1-2-3-4-5-6-7-9-13(12-14)15-10-8-11-16-13/h12H,2-11H2,1H3
InChIKey GQQIPWZTJXSQJU-UHFFFAOYSA-N
Molecular Weight 260.454 g/mol
SMILES C1(SCCCS1)(C=O)CCCCCCCC
SPLASH splash10-001i-0090000000-2e34c67142a6b721057d
Source of Spectrum I-60-2827-0
Wiley ID 1263519