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Vallesiachotamonitrile
SpectraBase Compound ID 2f5nUiQEMDv
InChI InChI=1S/C21H21N3O2/c1-3-13(11-22)16-10-19-20-15(14-6-4-5-7-18(14)23-20)8-9-24(19)12-17(16)21(25)26-2/h3-7,12,16,19,23H,8-10H2,1-2H3/b13-3+
InChIKey AILMRYWDGFEQLF-QLKAYGNNSA-N
Mol Weight 347.42 g/mol
Molecular Formula C21H21N3O2
Exact Mass 347.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGEXcEpAXF1
Name Vallesiachotamonitrile
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21N3O2
InChI InChI=1S/C21H21N3O2/c1-3-13(11-22)16-10-19-20-15(14-6-4-5-7-18(14)23-20)8-9-24(19)12-17(16)21(25)26-2/h3-7,12,16,19,23H,8-10H2,1-2H3/b13-3+
InChIKey AILMRYWDGFEQLF-QLKAYGNNSA-N
Instrument Name SF = 300 MHz
Literature Reference J. Org. Chem. 53, 2274 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3