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3-(3-Oxo-1,4-dithiepan-2-yl)propanal
SpectraBase Compound ID AreDHqysNSX
InChI InChI=1S/C8H12O2S2/c9-4-1-3-7-8(10)12-6-2-5-11-7/h4,7H,1-3,5-6H2
InChIKey JHJFRZAJKLZPQZ-UHFFFAOYSA-N
Mol Weight 204.3 g/mol
Molecular Formula C8H12O2S2
Exact Mass 204.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KV53BrfR9eq
Name 3-(3-Oxo-1,4-dithiepan-2-yl)propanal
CAS Registry Number 70068-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2S2
InChI InChI=1S/C8H12O2S2/c9-4-1-3-7-8(10)12-6-2-5-11-7/h4,7H,1-3,5-6H2
InChIKey JHJFRZAJKLZPQZ-UHFFFAOYSA-N
Molecular Weight 204.302 g/mol
SMILES C1(=O)C(SCCCS1)CCC=O
SPLASH splash10-053r-9810000000-9672e9fa3ae93efdc5b6
Synonyms 3-(3-keto-1,4-dithiepan-2-yl)propionaldehyde 3-(3-oxidanylidene-1,4-dithiepan-2-yl)propanal
Wiley ID 1480626