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Naphthalene-1,3,3-tricarbonitrile, 3,4,4a,5,6,7-hexahdro-2-amino-4-(4-methylphenyl)-

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Naphthalene-1,3,3-tricarbonitrile, 3,4,4a,5,6,7-hexahdro-2-amino-4-(4-methylphenyl)-
SpectraBase Compound ID 1Swxi1bwYh
InChI InChI=1S/C20H18N4/c1-13-6-8-14(9-7-13)18-16-5-3-2-4-15(16)17(10-21)19(24)20(18,11-22)12-23/h4,6-9,16,18H,2-3,5,24H2,1H3
InChIKey WIENPEIVMXUIDJ-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C20H18N4
Exact Mass 314.153147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9R59Eu18TtJ
Name Naphthalene-1,3,3-tricarbonitrile, 3,4,4A,5,6,7-hexahdro-2-amino-4-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.153146596 u
Formula C20H18N4
InChI InChI=1S/C20H18N4/c1-13-6-8-14(9-7-13)18-16-5-3-2-4-15(16)17(10-21)19(24)20(18,11-22)12-23/h4,6-9,16,18H,2-3,5,24H2,1H3
InChIKey WIENPEIVMXUIDJ-UHFFFAOYSA-N
Molecular Weight 314.392 g/mol
SMILES C1(C(=C(C#N)C=2C(C1C=1C=CC(C)=CC1)CCCC2)N)(C#N)C#N