For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,23:18,20-Dietheno-4,16,7,10,13,1,19-benzodioxatrithiadiazacyclohen eicosine-3,17-dione, 5,6,8,9,11,12,14,15-octahydro-
SpectraBase Compound ID HRlLuBjUeqK
InChI InChI=1S/C22H22N2O4S3/c25-21-17-5-3-15-1-2-16-4-6-18(24-20(16)19(15)23-17)22(26)28-8-10-30-12-14-31-13-11-29-9-7-27-21/h1-6H,7-14H2
InChIKey FFJNMZFBTCZATM-UHFFFAOYSA-N
Mol Weight 474.61 g/mol
Molecular Formula C22H22N2O4S3
Exact Mass 474.074171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 58k4iD7E7ot
Name 2,23:18,20-Dietheno-4,16,7,10,13,1,19-benzodioxatrithiadiazacyclohen eicosine-3,17-dione, 5,6,8,9,11,12,14,15-octahydro-
CAS Registry Number 109071-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S3
InChI InChI=1S/C22H22N2O4S3/c25-21-17-5-3-15-1-2-16-4-6-18(24-20(16)19(15)23-17)22(26)28-8-10-30-12-14-31-13-11-29-9-7-27-21/h1-6H,7-14H2
InChIKey FFJNMZFBTCZATM-UHFFFAOYSA-N
Molecular Weight 474.608 g/mol
SMILES c12nc3C(OCCSCCSCCSCCOC(c4nc2c(ccc1cc3)cc4)=O)=O
SPLASH splash10-000f-9200000000-e8eb9050ea0385a7337a
Source of Spectrum Y-23-1329-12
Synonyms 3,15-Dioxa-6,9,12-trithia-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 3,15-dioxa-6,9,12-trithia-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 1393766