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2-(azepan-1-yl)-4H-1,3,4-thiadiazin-5-one
SpectraBase Compound ID ES6B7Nf2ICN
InChI InChI=1S/C9H15N3OS/c13-8-7-14-9(11-10-8)12-5-3-1-2-4-6-12/h1-7H2,(H,10,13)
InChIKey UPALFBZIPJNERM-UHFFFAOYSA-N
Mol Weight 213.3 g/mol
Molecular Formula C9H15N3OS
Exact Mass 213.093583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n0we2sDH74
Name 2-(azepan-1-yl)-4H-1,3,4-thiadiazin-5-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H15N3OS
InChI InChI=1S/C9H15N3OS/c13-8-7-14-9(11-10-8)12-5-3-1-2-4-6-12/h1-7H2,(H,10,13)
InChIKey UPALFBZIPJNERM-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 213.298 g/mol
Source File Reference MHKO26263