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Tetradecahydro-1,8a,12a(2H,8bH)-triphenylenetricarbonitrile
SpectraBase Compound ID BfhrffA6oIg
InChI InChI=1S/C21H27N3/c22-12-15-6-5-7-16-17-8-1-3-10-20(17,13-23)18-9-2-4-11-21(18,14-24)19(15)16/h15-19H,1-11H2
InChIKey STBLCNJFPCAOKQ-UHFFFAOYSA-N
Mol Weight 321.47 g/mol
Molecular Formula C21H27N3
Exact Mass 321.220498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCAoiE2TKVL
Name Tetradecahydro-1,8a,12a(2H,8bH)-triphenylenetricarbonitrile
CAS Registry Number 68317-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3
InChI InChI=1S/C21H27N3/c22-12-15-6-5-7-16-17-8-1-3-10-20(17,13-23)18-9-2-4-11-21(18,14-24)19(15)16/h15-19H,1-11H2
InChIKey STBLCNJFPCAOKQ-UHFFFAOYSA-N
Molecular Weight 321.468 g/mol
SMILES C12(C3C(CCCC3C#N)C3C(C1CCCC2)(C#N)CCCC3)C#N
SPLASH splash10-00di-0297000000-f28753de52c06ee1089e
Source of Spectrum J-44-300-0
Wiley ID 1321130