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(10SR)-10-Phenylbicyclo[5.3.1]deca-1,3,5-triene-8,8,9,9-tetracarbonitrile
SpectraBase Compound ID BEA9g0XTMAF
InChI InChI=1S/C21H14N4/c22-12-20(13-23)18-10-6-2-5-9-17(11-18)19(21(20,14-24)15-25)16-7-3-1-4-8-16/h1-10,18-19H,11H2/b5-2-,10-6-,17-9+/t18-,19+/m1/s1
InChIKey SXHLPCTYTZUHSB-PHBBEKHYSA-N
Mol Weight 322.37 g/mol
Molecular Formula C21H14N4
Exact Mass 322.121846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxfBNYHgfYg
Name (10SR)-10-Phenylbicyclo[5.3.1]deca-1,3,5-triene-8,8,9,9-tetracarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N4
InChI InChI=1S/C21H14N4/c22-12-20(13-23)18-10-6-2-5-9-17(11-18)19(21(20,14-24)15-25)16-7-3-1-4-8-16/h1-10,18-19H,11H2/b5-2-,10-6-,17-9+/t18-,19+/m1/s1
InChIKey SXHLPCTYTZUHSB-PHBBEKHYSA-N
Molecular Weight 322.371 g/mol
SMILES C1(C([C@@]2(\C=C/C=C\C=C\([C@@]1(c1ccccc1)[H])C2)[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-0006-1900000000-c40fde9266d627ce3710
Source of Spectrum C-88-2018-0
Wiley ID 1590281