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1,4-Dimethyl-4-phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthylene

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1,4-Dimethyl-4-phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthylene
SpectraBase Compound ID BN7vE7smi2z
InChI InChI=1S/C27H21N3/c1-26(22-8-4-3-5-9-22)12-13-27(2,24-11-7-6-10-23(24)26)25-15-20(17-29)19(16-28)14-21(25)18-30/h3-11,14-15H,12-13H2,1-2H3/t26-,27-/m1/s1
InChIKey JSTVCDWPUPFIJK-KAYWLYCHSA-N
Mol Weight 387.49 g/mol
Molecular Formula C27H21N3
Exact Mass 387.173548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37pRBiyjHPZ
Name 1,4-Dimethyl-4-phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthylene
Comments Computed using HOSE algorithm
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Exact Mass 387.173547688 u
Formula C27H21N3
InChI InChI=1S/C27H21N3/c1-26(22-8-4-3-5-9-22)12-13-27(2,24-11-7-6-10-23(24)26)25-15-20(17-29)19(16-28)14-21(25)18-30/h3-11,14-15H,12-13H2,1-2H3/t26-,27-/m1/s1
InChIKey JSTVCDWPUPFIJK-KAYWLYCHSA-N
Molecular Weight 387.486 g/mol
SMILES [C@@]1(C=2C(C#N)=CC(=C(C2)C#N)C#N)(C=2C(=CC=CC2)[C@](CC1)(C=1C=CC=CC1)C)C