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1,4-Dithiocan-3-one-semicarbazone
SpectraBase Compound ID L6Mv0nWAWFo
InChI InChI=1S/C7H13N3OS2/c8-7(11)10-9-6-5-12-3-1-2-4-13-6/h1-5H2,(H3,8,10,11)/b9-6-
InChIKey OIPYNBRKZSSMQT-TWGQIWQCSA-N
Mol Weight 219.32 g/mol
Molecular Formula C7H13N3OS2
Exact Mass 219.050004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjuYlOM6wX2
Name 1,4-Dithiocan-3-one-semicarbazone
Alternate Name(s) (2Z)-1,4-dithiocan-2-one semicarbazone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13N3OS2
InChI InChI=1S/C7H13N3OS2/c8-7(11)10-9-6-5-12-3-1-2-4-13-6/h1-5H2,(H3,8,10,11)/b9-6-
InChIKey OIPYNBRKZSSMQT-TWGQIWQCSA-N
Molecular Weight 219.321 g/mol
SMILES N(C(=O)N)\N=C\1SCCCCSC1
SPLASH splash10-014i-0590000000-ea58cbcaf17f81d58900
Source of Spectrum K-127-2039-21
Wiley ID 1218566