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1,4-Dithiepane-2-pentanal, 3-oxo-
SpectraBase Compound ID GZSAiPrHkmV
InChI InChI=1S/C10H16O2S2/c11-6-3-1-2-5-9-10(12)14-8-4-7-13-9/h6,9H,1-5,7-8H2
InChIKey IAGZRQIZEFRFLK-UHFFFAOYSA-N
Mol Weight 232.36 g/mol
Molecular Formula C10H16O2S2
Exact Mass 232.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXtFdQ2zUww
Name 1,4-Dithiepane-2-pentanal, 3-oxo-
CAS Registry Number 70068-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S2
InChI InChI=1S/C10H16O2S2/c11-6-3-1-2-5-9-10(12)14-8-4-7-13-9/h6,9H,1-5,7-8H2
InChIKey IAGZRQIZEFRFLK-UHFFFAOYSA-N
Molecular Weight 232.356 g/mol
SMILES C1(SCCCSC1CCCCC=O)=O
SPLASH splash10-06di-3920000000-3bbf3e6db59bfb0bc9a9
Source of Spectrum H-61-3094-0
Synonyms 5-(3-oxo-1,4-dithiepan-2-yl)pentanal 7-Oxo-6,7-trimethylenedithioheptanal
Wiley ID 1233310