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2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanethioamide
SpectraBase Compound ID 22janKSJQqS
InChI InChI=1S/C14H19N3OS/c1-14(18,12-15-9-5-6-10-16-12)13(19)17-11-7-3-2-4-8-11/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,15,16)(H,17,19)
InChIKey OKPBXZOPHCSKIT-UHFFFAOYSA-N
Mol Weight 277.39 g/mol
Molecular Formula C14H19N3OS
Exact Mass 277.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhbNzC0gGHM
Name 2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanethioamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H19N3OS
InChI InChI=1S/C14H19N3OS/c1-14(18,12-15-9-5-6-10-16-12)13(19)17-11-7-3-2-4-8-11/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,15,16)(H,17,19)
InChIKey OKPBXZOPHCSKIT-UHFFFAOYSA-N
Molecular Weight 277.386 g/mol
SMILES N1CCCCN[C+]1C(\C(=N\c1ccccc1)[S-])(O)C
SPLASH splash10-0006-1900000000-abee61457fa4f27d82d0
Source of Spectrum J-67-4529-4
Synonyms 2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thiopropionamide 2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)propanimidothioate 2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)thiopropionimidate 2-oxidanyl-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanethioamide 2-oxidanyl-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)propanimidothioate
Wiley ID 1570213