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2-ANILINO-7-HYDROXY-7-METHYL-5-PHENYL-6-H-1,3,4-THIADIAZEPIN

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2-ANILINO-7-HYDROXY-7-METHYL-5-PHENYL-6-H-1,3,4-THIADIAZEPIN
SpectraBase Compound ID JeTUbh6xdTf
InChI InChI=1S/C17H17N3OS/c1-17(21)12-15(13-8-4-2-5-9-13)19-20-16(22-17)18-14-10-6-3-7-11-14/h2-11,21H,12H2,1H3,(H,18,20)
InChIKey HCVGQYJHMDLZHS-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSlLfupGay7
Name 2-ANILINO-7-HYDROXY-7-METHYL-5-PHENYL-6-H-1,3,4-THIADIAZEPIN
Compound Number V-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-17(21)12-15(13-8-4-2-5-9-13)19-20-16(22-17)18-14-10-6-3-7-11-14/h2-11,21H,12H2,1H3,(H,18,20)
InChIKey HCVGQYJHMDLZHS-UHFFFAOYSA-N
Literature Reference Author A.S.NAKHMANOVICH,G.E.GLOTOVA
Literature Reference Citation CHEM.HET.COMP.,32,199(1996)
Molecular Weight 311.401 g/mol
Solvent DMSO-D6
Source File Reference UWMZ14325