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6,9,17,20,25-Pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione
SpectraBase Compound ID BkLbChjIWzl
InChI InChI=1S/C18H34N4O5S2/c28-17-19-1-7-23-13-14-24-8-2-20-18(29)22-4-10-25-9-3-21(17)5-11-26-15-16-27-12-6-22/h1-16H2,(H,19,28)(H,20,29)
InChIKey ZEHCCIGVKARIAX-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C18H34N4O5S2
Exact Mass 450.197063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDDcSG5KIoJ
Name 6,9,17,20,25-Pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dithione
Alternate Name(s) 6,9,17,20,25-pentaoxa-1,3,12,14-tetrazabicyclo[12.8.5]heptacosane-2,13-dithione
CAS Registry Number 110228-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34N4O5S2
InChI InChI=1S/C18H34N4O5S2/c28-17-19-1-7-23-13-14-24-8-2-20-18(29)22-4-10-25-9-3-21(17)5-11-26-15-16-27-12-6-22/h1-16H2,(H,19,28)(H,20,29)
InChIKey ZEHCCIGVKARIAX-UHFFFAOYSA-N
Molecular Weight 450.613 g/mol
SMILES S\C1=N\CCOCCOCC\N=C/(N2CCOCCOCCN1CCOCC2)S
SPLASH splash10-0019-9400000000-7c955a6e918981a2858c
Source of Spectrum W5-1989-37181-28355
Wiley ID 1387568