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5-(4,5,6,7-tetrahydro-1,3-diazepin-2-yl)thieno[3,2-b]pyridine monohydrate
SpectraBase Compound ID C9vgeoVE8wz
InChI InChI=1S/C12H13N3S.O/c1-2-7-14-12(13-6-1)10-3-4-11-9(15-10)5-8-16-11;/h3-5,8H,1-2,6-7H2,(H,13,14);
InChIKey VQSFQZNGTPWMIL-UHFFFAOYSA-N
Mol Weight 247.32 g/mol
Molecular Formula C12H13N3OS
Exact Mass 247.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jpPxv0HsSy
Name 5-(4,5,6,7-tetrahydro-1,3-diazepin-2-yl)thieno[3,2-b]pyridine monohydrate
Alternate Name(s) 5-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thieno[3,2-b]pyridine hydrate
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Formula C12H15N3OS
InChI InChI=1S/C12H13N3S.O/c1-2-7-14-12(13-6-1)10-3-4-11-9(15-10)5-8-16-11;/h3-5,8H,1-2,6-7H2,(H,13,14);
InChIKey VQSFQZNGTPWMIL-UHFFFAOYSA-N
Molecular Weight 249.332 g/mol
SMILES O.N1CCCCN=C1c1nc2ccsc2cc1
SPLASH splash10-01q9-0930000000-afe26526803c657ca1fc
Source of Spectrum Y-22-1251-1
Wiley ID 1252048