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1,4,7,15-Tetraoxa-10,12,18,20-tetraazacyclodocosane-11,19-dithione

View entire compound with spectra: 1 MS (GC)

1,4,7,15-Tetraoxa-10,12,18,20-tetraazacyclodocosane-11,19-dithione
SpectraBase Compound ID BaBiIn874a1
InChI InChI=1S/C14H28N4O4S2/c23-13-15-1-5-19-6-2-16-14(24)18-4-8-21-10-12-22-11-9-20-7-3-17-13/h1-12H2,(H2,15,17,23)(H2,16,18,24)
InChIKey RHQGMBHPBDHWGY-UHFFFAOYSA-N
Mol Weight 380.52 g/mol
Molecular Formula C14H28N4O4S2
Exact Mass 380.155198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuC1eU873rN
Name 1,4,7,15-Tetraoxa-10,12,18,20-tetraazacyclodocosane-11,19-dithione
CAS Registry Number 111039-16-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28N4O4S2
InChI InChI=1S/C14H28N4O4S2/c23-13-15-1-5-19-6-2-16-14(24)18-4-8-21-10-12-22-11-9-20-7-3-17-13/h1-12H2,(H2,15,17,23)(H2,16,18,24)
InChIKey RHQGMBHPBDHWGY-UHFFFAOYSA-N
Molecular Weight 380.522 g/mol
SMILES N1C(NCCOCCNC(NCCOCCOCCOCC1)=S)=S
SPLASH splash10-000i-9610000000-e679d2a1dc6d5400d7af
Source of Spectrum W5-1989-37160-28376
Synonyms 1,9,17,20-Tetraoxa-4,6,12,14-tetraazacyclodocosane-5,13-dithione 1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dithione
Wiley ID 1359479