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1,4-Ethano-1H-cyclopentacyclooctene-10,10,11,11-tetracarbonitrile, 2,3,3a,4-tetrahydro-, (1.alpha.,3a.beta.,4.beta.)-(.+-.)-
SpectraBase Compound ID FlRKPmw39DM
InChI InChI=1S/C17H12N4/c18-8-16(9-19)14-5-3-1-2-4-12-13(14)6-7-15(12)17(16,10-20)11-21/h1-5,13-15H,6-7H2/b2-1-,5-3-,12-4+/t13?,14-,15-/m0/s1
InChIKey IKGHBFIUJJRIAD-PXRWMOAASA-N
Mol Weight 272.31 g/mol
Molecular Formula C17H12N4
Exact Mass 272.106196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUHGRZomAgY
Name 1,4-Ethano-1H-cyclopentacyclooctene-10,10,11,11-tetracarbonitrile, 2,3,3a,4-tetrahydro-, (1.alpha.,3a.beta.,4.beta.)-(.+-.)-
CAS Registry Number 128706-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N4
InChI InChI=1S/C17H12N4/c18-8-16(9-19)14-5-3-1-2-4-12-13(14)6-7-15(12)17(16,10-20)11-21/h1-5,13-15H,6-7H2/b2-1-,5-3-,12-4+/t13?,14-,15-/m0/s1
InChIKey IKGHBFIUJJRIAD-PXRWMOAASA-N
Molecular Weight 272.311 g/mol
SMILES C1(C([C@]2(\C=C/C=C\C=C\3[C@@]1(CCC23)[H])[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-004l-0900000000-b30838a069c3fef7ee2f
Source of Spectrum B-43-481-7
Synonyms (1RS,8RS,11RS)-tricyclo[6.5.0.0(2,11)]trideca-2,4,6-triene-9,9,10,10-tetracarbonitrile Tricyclo[6.5.0.0(2,11)]trideca-2,4,6-triene-9,9,10,10-tetracarbonitrile
Wiley ID 1276410