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2,20:15,17-Dietheno-4,13,7,10,1,16-benzodioxadithiadiazacyclooctadec ine-3,14-dione, 5,6,8,9,11,12-hexahydro-
SpectraBase Compound ID FEvENUY5sS4
InChI InChI=1S/C20H18N2O4S2/c23-19-15-5-3-13-1-2-14-4-6-16(22-18(14)17(13)21-15)20(24)26-8-10-28-12-11-27-9-7-25-19/h1-6H,7-12H2
InChIKey XKWALMOJRFMWBU-UHFFFAOYSA-N
Mol Weight 414.49 g/mol
Molecular Formula C20H18N2O4S2
Exact Mass 414.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5VtvUJbbcQ
Name 2,20:15,17-Dietheno-4,13,7,10,1,16-benzodioxadithiadiazacyclooctadec ine-3,14-dione, 5,6,8,9,11,12-hexahydro-
CAS Registry Number 109105-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O4S2
InChI InChI=1S/C20H18N2O4S2/c23-19-15-5-3-13-1-2-14-4-6-16(22-18(14)17(13)21-15)20(24)26-8-10-28-12-11-27-9-7-25-19/h1-6H,7-12H2
InChIKey XKWALMOJRFMWBU-UHFFFAOYSA-N
Molecular Weight 414.494 g/mol
SMILES c12nc3C(OCCSCCSCCOC(c4nc2c(ccc1cc3)cc4)=O)=O
SPLASH splash10-004r-9356000000-3071fa89f14e204b0497
Source of Spectrum Y-23-1329-11
Synonyms 3,12-dioxa-6,9-dithia-23,26-diazatetracyclo[12.8.4.0(17,25).0(20,24)]hexacosa-1(22),14,16,18,20,23,25-heptaene-2,13-dione 3,12-Dioxa-6,9-dithia-23,26-diazatetracyclo[12.8.4.0(17,25).0(20,24)]hexacosa-14,16,18,20,22(1),23,25-heptaene-2,13-dione
Wiley ID 1375257