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3-AMINO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[3,4-B]-[1,3]-THIAZEPINE-HYDROBROMIDE
SpectraBase Compound ID 6SIHiRha2W7
InChI InChI=1S/C6H10N4S.BrH/c7-5-8-9-6-10(5)3-1-2-4-11-6;/h1-4H2,(H2,7,8);1H
InChIKey UTRMOOBNXNLIDY-UHFFFAOYSA-N
Mol Weight 251.15 g/mol
Molecular Formula C6H11BrN4S
Exact Mass 249.988781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57ocCwxvobO
Name 3-AMINO-5,6,7,8-TETRAHYDRO-[1,2,4]-TRIAZOLO-[3,4-B]-[1,3]-THIAZEPINE-HYDROBROMIDE
Compound Number 2C-HBR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H11BrN4S
InChI InChI=1S/C6H10N4S.BrH/c7-5-8-9-6-10(5)3-1-2-4-11-6;/h1-4H2,(H2,7,8);1H
InChIKey UTRMOOBNXNLIDY-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,821(2003)
Literature Reference DOI 10.1002/jhet.5570400511
Molecular Weight 251.144 g/mol
Solvent DMSO-D6
Source File Reference UWMS22807