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grossularine-2

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

grossularine-2
SpectraBase Compound ID 92QH2ini2Bt
InChI InChI=1S/C21H17N5O2/c1-26(2)21-24-16-15-13-5-3-4-6-14(13)22-20(15)23-18(17(16)25-21)19(28)11-7-9-12(27)10-8-11/h3-10,27H,1-2H3,(H,22,23)(H,24,25)
InChIKey OGSOWFWOXWWJSA-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C21H17N5O2
Exact Mass 371.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lta7NxA4Cwu
Name GROSSULARINE-2
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17N5O2
InChI InChI=1S/C21H17N5O2/c1-26(2)21-24-16-15-13-5-3-4-6-14(13)22-20(15)23-18(17(16)25-21)19(28)11-7-9-12(27)10-8-11/h3-10,27H,1-2H3,(H,22,23)(H,24,25)
InChIKey OGSOWFWOXWWJSA-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 371.398 g/mol
Solvent DMSO-D6
Source File Reference UWCP2311