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2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1,3,5-tripropanenitrile, 7-propyl-
SpectraBase Compound ID 4pYKR1G8B5X
InChI InChI=1S/C16H19N3S6/c1-2-6-13-20-14(7-3-10-17)23-15(21-13,8-4-11-18)25-16(22-13,24-14)9-5-12-19/h2-9H2,1H3/t13-,14+,15-,16+
InChIKey PNFNCNWGESWDBZ-GEEKYZPCSA-N
Mol Weight 445.7 g/mol
Molecular Formula C16H19N3S6
Exact Mass 444.990325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrOeyXwTXIU
Name 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1,3,5-tripropanenitrile, 7-propyl-
CAS Registry Number 57274-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3S6
InChI InChI=1S/C16H19N3S6/c1-2-6-13-20-14(7-3-10-17)23-15(21-13,8-4-11-18)25-16(22-13,24-14)9-5-12-19/h2-9H2,1H3/t13-,14+,15-,16+
InChIKey PNFNCNWGESWDBZ-GEEKYZPCSA-N
Molecular Weight 445.709 g/mol
SMILES C12(S[C@@]3(S[C@](S2)(S[C@@](S3)(S1)CCC#N)CCC#N)CCC#N)CCC
SPLASH splash10-000j-9210000000-0b555963beb3bed5b84a
Source of Spectrum EP-7821-0-0
Wiley ID 1386288