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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPYCouUlwIP
Name 1,4-Dimethyl-4-phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(c2c(C#N)cc(c(c2)C#N)C#N)(c2c(cccc2)[C@](CC1)(c1ccccc1)C)C
SPLASH splash10-00dm-4419000000-39e623690b788becc8b7
Source of Spectrum F-62-5671-16
Wiley ID 1633498