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5,6-Dihydro-8H,13aH-pyrido[3,2-e]pyrrolo[2',1':3,4]pyrazino-[2,1-b][1,3]-thiazin-8-one
SpectraBase Compound ID 9YGFs0sMGHW
InChI InChI=1S/C13H11N3OS/c17-12-9-3-1-5-14-11(9)18-13-10-4-2-6-15(10)7-8-16(12)13/h1-6,13H,7-8H2
InChIKey YFRNURHHILOFDF-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C13H11N3OS
Exact Mass 257.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SejEWoKk2r
Name 5,6-Dihydro-8H,13aH-pyrido[3,2-e]pyrrolo[2',1':3,4]pyrazino-[2,1-b][1,3]-thiazin-8-one
Appearance Colorless solid
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Exact Mass 257.062283159 u
Formula C13H11N3OS
InChI InChI=1S/C13H11N3OS/c17-12-9-3-1-5-14-11(9)18-13-10-4-2-6-15(10)7-8-16(12)13/h1-6,13H,7-8H2
InChIKey YFRNURHHILOFDF-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900142
Quality 125
SMILES C=1C=CN2C1C1SC3=C(C(N1CC2)=O)C=CC=N3
SPLASH splash10-014i-2930000000-a99cf482c213eaf6cf27
Source of Spectrum K1-2019-4156-9b (DOI: 10.1002/ejoc.201900142)
Thin-Layer Chromatography 0.42 (CH2Cl2/acetone, 95:5)
Wiley ID 1894483