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ADKMTACDFKNBRE-HMMYKYKNSA-N

View entire compound with spectra: 2 NMR

ADKMTACDFKNBRE-HMMYKYKNSA-N
SpectraBase Compound ID 5EbBkvUdeOh
InChI InChI=1S/C16H14ClN3O3/c1-10(21)15(16(23)18-12-5-3-2-4-6-12)20-19-13-9-11(17)7-8-14(13)22/h2-9,19,22H,1H3,(H,18,23)/b20-15+
InChIKey ADKMTACDFKNBRE-HMMYKYKNSA-N
Mol Weight 331.76 g/mol
Molecular Formula C16H14ClN3O3
Exact Mass 331.072369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvsLyg1C9SB
Name ADKMTACDFKNBRE-HMMYKYKNSA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14ClN3O3
InChI InChI=1S/C16H14ClN3O3/c1-10(21)15(16(23)18-12-5-3-2-4-6-12)20-19-13-9-11(17)7-8-14(13)22/h2-9,19,22H,1H3,(H,18,23)/b20-15+
InChIKey ADKMTACDFKNBRE-HMMYKYKNSA-N
Literature Reference Author A.LYCKA,P.RYS,P.SKRABAL
Literature Reference Citation MAGN.RES.CHEM.,36,279(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199804)36:4<279::aid-omr263>3.0.co;2-7
Molecular Weight 331.758 g/mol
Solvent DMSO-D6
Source File Reference UWCS25250