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IAGGDWWDWVKOPZ-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

IAGGDWWDWVKOPZ-UHFFFAOYSA-N
SpectraBase Compound ID 4uoGhVOFsqc
InChI InChI=1S/C14H13BrN4OS/c1-21-14-18-12-11(13(20)19-14)17-10(6-7-16-12)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H2,16,18,19,20)
InChIKey IAGGDWWDWVKOPZ-UHFFFAOYSA-N
Mol Weight 365.25 g/mol
Molecular Formula C14H13BrN4OS
Exact Mass 363.999345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BzqFYktEkd
Name IAGGDWWDWVKOPZ-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13BrN4OS
InChI InChI=1S/C14H13BrN4OS/c1-21-14-18-12-11(13(20)19-14)17-10(6-7-16-12)8-2-4-9(15)5-3-8/h2-5H,6-7H2,1H3,(H2,16,18,19,20)
InChIKey IAGGDWWDWVKOPZ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 365.247 g/mol
Source File Reference MHKO16001