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pyrazinic acid butyl ester

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pyrazinic acid butyl ester
SpectraBase Compound ID 8NvKTehlN3z
InChI InChI=1S/C9H12N2O2/c1-2-3-6-13-9(12)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3
InChIKey DOKPVDRODRRURS-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C9H12N2O2
Exact Mass 180.089878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fgJxmkze1L
Name pyrazinic acid butyl ester
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O2
InChI InChI=1S/C9H12N2O2/c1-2-3-6-13-9(12)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3
InChIKey DOKPVDRODRRURS-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 180.206 g/mol
Source File Reference MHKO6291