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HFDRCDQEZCGEDH-UHFFFAOYSA-N

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HFDRCDQEZCGEDH-UHFFFAOYSA-N
SpectraBase Compound ID 86M00HPcWUd
InChI InChI=1S/C23H18N6O/c1-29(2)23-27-18-17-13-8-4-6-10-16(13)25-22(17)26-20(19(18)28-23)21(30)14-11-24-15-9-5-3-7-12(14)15/h3-11,24H,1-2H3,(H,25,26)(H,27,28)
InChIKey HFDRCDQEZCGEDH-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C23H18N6O
Exact Mass 394.154209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D50lt9nSMvy
Name GROSSULARINE-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18N6O
InChI InChI=1S/C23H18N6O/c1-29(2)23-27-18-17-13-8-4-6-10-16(13)25-22(17)26-20(19(18)28-23)21(30)14-11-24-15-9-5-3-7-12(14)15/h3-11,24H,1-2H3,(H,25,26)(H,27,28)
InChIKey HFDRCDQEZCGEDH-UHFFFAOYSA-N
Literature Reference Author A.LOUKACI,M.GUYOT
Literature Reference Citation MAGN.RES.CHEM.,34,143(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199602)34:2<143::aid-omr849>3.0.co;2-d
Molecular Weight 394.436 g/mol
Solvent DMSO-D6
Source File Reference UWCP2310