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1,4-Dithiepane-2-butanal, 3-oxo-

View entire compound with spectra: 3 MS (GC)

1,4-Dithiepane-2-butanal, 3-oxo-
SpectraBase Compound ID K9bR2NhDLbh
InChI InChI=1S/C9H14O2S2/c10-5-2-1-4-8-9(11)13-7-3-6-12-8/h5,8H,1-4,6-7H2
InChIKey KROAAULHVDDKML-UHFFFAOYSA-N
Mol Weight 218.33 g/mol
Molecular Formula C9H14O2S2
Exact Mass 218.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8JqDBzQwZx
Name 1,4-Dithiepane-2-butanal, 3-oxo-
CAS Registry Number 60450-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S2
InChI InChI=1S/C9H14O2S2/c10-5-2-1-4-8-9(11)13-7-3-6-12-8/h5,8H,1-4,6-7H2
InChIKey KROAAULHVDDKML-UHFFFAOYSA-N
Molecular Weight 218.329 g/mol
SMILES C1(=O)C(SCCCS1)CCCC=O
SPLASH splash10-066r-3910000000-e755f00d414e96f9a218
Source of Spectrum H-61-3094-0
Synonyms 4-(3-Oxo-1,4-dithiepan-2-yl)butanal 4-(3-keto-1,4-dithiepan-2-yl)butyraldehyde 4-(3-oxidanylidene-1,4-dithiepan-2-yl)butanal
Wiley ID 1217058