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2H,6H-1,5,2,4,6,8-Dithiatetrazocine, 2,4,6,8-tetrakis(3-phenylpropyl)-, 1,1,5,5-tetraoxide
SpectraBase Compound ID 1iWHsEhz2jp
InChI InChI=1S/C38H48N4O4S2/c43-47(44)39(29-13-25-35-17-5-1-6-18-35)33-40(30-14-26-36-19-7-2-8-20-36)48(45,46)42(32-16-28-38-23-11-4-12-24-38)34-41(47)31-15-27-37-21-9-3-10-22-37/h1-12,17-24H,13-16,25-34H2
InChIKey XFSUUEQAMZTGGZ-UHFFFAOYSA-N
Mol Weight 688.9 g/mol
Molecular Formula C38H48N4O4S2
Exact Mass 688.311698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ocutttFI8o
Name 2H,6H-1,5,2,4,6,8-Dithiatetrazocine, 2,4,6,8-tetrakis(3-phenylpropyl)-, 1,1,5,5-tetraoxide
CAS Registry Number 130698-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H48N4O4S2
InChI InChI=1S/C38H48N4O4S2/c43-47(44)39(29-13-25-35-17-5-1-6-18-35)33-40(30-14-26-36-19-7-2-8-20-36)48(45,46)42(32-16-28-38-23-11-4-12-24-38)34-41(47)31-15-27-37-21-9-3-10-22-37/h1-12,17-24H,13-16,25-34H2
InChIKey XFSUUEQAMZTGGZ-UHFFFAOYSA-N
Molecular Weight 688.946 g/mol
SMILES C1N(S(N(CN(S(N1CCCc1ccccc1)(=O)=O)CCCc1ccccc1)CCCc1ccccc1)(=O)=O)CCCc1ccccc1
SPLASH splash10-00kb-0947200000-c9f2a031b78bbc8fb99f
Source of Spectrum J-55-6104-31
Synonyms 2,4,6,8-Tetrakis(3-phenyl-n-propyl)perhydro-1,5,2,4,6,8-dithiatetrazocine1,1,5,5-tetraoxide 2,4,6,8-tetrakis(3-phenylpropyl)tetrahydro-2H,6H-1,5,2,4,6,8-dithiatetraazocine 1,1,5,5-tetraoxide
Wiley ID 1414618