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6,16-Dioxa-2-thia-9,10-diazatetracyclo[6.6.1.1(4,7).0(11,15)]hexadeca-1(15),8,11,13-tetraene, 13-nitro-10-phenyl-
SpectraBase Compound ID IHwk22461Ww
InChI InChI=1S/C17H13N3O4S/c21-20(22)11-6-13-15-14(7-11)25-9-12-8-23-17(24-12)16(15)18-19(13)10-4-2-1-3-5-10/h1-7,12,17H,8-9H2
InChIKey HQFIYKYESWWZQR-UHFFFAOYSA-N
Mol Weight 355.37 g/mol
Molecular Formula C17H13N3O4S
Exact Mass 355.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jp4O3NKz4R
Name 6,16-Dioxa-2-thia-9,10-diazatetracyclo[6.6.1.1(4,7).0(11,15)]hexadeca-1(15),8,11,13-tetraene, 13-nitro-10-phenyl-
Alternate Name(s) 10-nitro-13-phenyl-3,16-dioxa-7-thia-13,14-diazatetracyclo[6.6.1.1(2,5).0(12,15)]hexadeca-1(14),8(15),9,11-tetraene
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Formula C17H13N3O4S
InChI InChI=1S/C17H13N3O4S/c21-20(22)11-6-13-15-14(7-11)25-9-12-8-23-17(24-12)16(15)18-19(13)10-4-2-1-3-5-10/h1-7,12,17H,8-9H2
InChIKey HQFIYKYESWWZQR-UHFFFAOYSA-N
Molecular Weight 355.368 g/mol
SMILES c12n[n](-c3ccccc3)c3c1c(SCC1OC2OC1)cc(N(=O)=O)c3
SPLASH splash10-052b-3393000000-e2d4dbb971fdce37557e
Wiley ID 1443230