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4,7-Bis[5-(1,3-dioxolan-2-yl)thiophen-2-yl][1,2,5]thiadiazolo[3,4-d]pyridazine
SpectraBase Compound ID 2WY5T29UQcd
InChI InChI=1S/C18H14N4O4S3/c1-3-11(17-23-5-6-24-17)27-9(1)13-15-16(22-29-21-15)14(20-19-13)10-2-4-12(28-10)18-25-7-8-26-18/h1-4,17-18H,5-8H2
InChIKey XFVCXMODECXEEQ-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C18H14N4O4S3
Exact Mass 446.017718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOI2EblZGk4
Name 4,7-Bis[5-(1,3-dioxolan-2-yl)thiophen-2-yl][1,2,5]thiadiazolo[3,4-d]pyridazine
Appearance Orange solid
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Exact Mass 446.017718465 u
Formula C18H14N4O4S3
InChI InChI=1S/C18H14N4O4S3/c1-3-11(17-23-5-6-24-17)27-9(1)13-15-16(22-29-21-15)14(20-19-13)10-2-4-12(28-10)18-25-7-8-26-18/h1-4,17-18H,5-8H2
InChIKey XFVCXMODECXEEQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800961
Molecular Weight 446.514 g/mol
Quality 181
Reported Formula C18H14N4O4S3
SMILES C1(OCCO1)C1=CC=C(S1)C1=NN=C(C=2C1=NSN2)C1=CC=C(C2OCCO2)S1
SPLASH splash10-006t-9200200000-b633e2a712f5fe5249aa
Source of Spectrum K1-2018-5676-7b (DOI: 10.1002/ejoc.201800961)
Thin-Layer Chromatography 0.1 (CH2Cl2)
Wiley ID 1894388