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2,23:18,20-Dietheno-4,10,16,7,13,1,19-benzotrioxadithiadiazacyclohen eicosine-3,17-dione, 5,6,8,9,11,12,14,15-octahydro-
SpectraBase Compound ID 9tm9EXDhlmS
InChI InChI=1S/C22H22N2O5S2/c25-21-17-5-3-15-1-2-16-4-6-18(24-20(16)19(15)23-17)22(26)29-10-14-31-12-8-27-7-11-30-13-9-28-21/h1-6H,7-14H2
InChIKey KYRQAHPHEYJHQP-UHFFFAOYSA-N
Mol Weight 458.55 g/mol
Molecular Formula C22H22N2O5S2
Exact Mass 458.097014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8tWc4j2GSo
Name 2,23:18,20-Dietheno-4,10,16,7,13,1,19-benzotrioxadithiadiazacyclohen eicosine-3,17-dione, 5,6,8,9,11,12,14,15-octahydro-
CAS Registry Number 109071-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O5S2
InChI InChI=1S/C22H22N2O5S2/c25-21-17-5-3-15-1-2-16-4-6-18(24-20(16)19(15)23-17)22(26)29-10-14-31-12-8-27-7-11-30-13-9-28-21/h1-6H,7-14H2
InChIKey KYRQAHPHEYJHQP-UHFFFAOYSA-N
Molecular Weight 458.547 g/mol
SMILES c12nc3C(OCCSCCOCCSCCOC(c4nc2c(ccc1cc3)cc4)=O)=O
SPLASH splash10-000i-9330100000-f4723085671be161f038
Source of Spectrum Y-23-1329-13
Synonyms 3,9,15-Trioxa-6,12-dithia-26,29-diazatetracyclo[15.8.4.0(20,28).0(23,27)]nona-cosa-17,19,21,23,25(1),26,28-heptaene-2,16-dione 3,9,15-trioxa-6,12-dithia-26,29-diazatetracyclo[15.8.4.0(20,28).0(23,27)]nonacosa-1(25),17,19,21,23,26,28-heptaene-2,16-dione
Wiley ID 1389795