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grossularine-1

View entire compound with spectra: 3 NMR, and 2 MS (GC)

grossularine-1
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 2a4MdLiqYew
Name HFDRCDQEZCGEDH-UHFFFAOYSA-N
Copyright Copyright © 2016-2025 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 ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 394.436 g/mol
Source File Reference MHKO16678