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1,5-Dimethyltricyclo[3.3.0.0(2,8)]octa-3,6-diene-3,4,7-tricarbonitrile
SpectraBase Compound ID KxcOglZk3D1
InChI InChI=1S/C13H9N3/c1-12-3-7(4-14)10-11(13(10,12)2)8(5-15)9(12)6-16/h11H,3H2,1-2H3/t11-,12?,13?/m0/s1
InChIKey CIMQLWDCIKQYCB-UHFFFAOYSA-N
Mol Weight 207.24 g/mol
Molecular Formula C13H9N3
Exact Mass 207.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6l0iIPYJYfj
Name 1,5-Dimethyltricyclo[3.3.0.0(2,8)]octa-3,6-diene-3,4,7-tricarbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9N3
InChI InChI=1S/C13H9N3/c1-12-3-7(4-14)10-11(13(10,12)2)8(5-15)9(12)6-16/h11H,3H2,1-2H3/t11-,12?,13?/m0/s1
InChIKey CIMQLWDCIKQYCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19861190605
Molecular Weight 207.236 g/mol
SMILES [C@]12(C(=C(C3(CC(=C2C13C)C#N)C)C#N)C#N)[H]
SPLASH splash10-0159-0900000000-99966acfa9a491195a18
Source of Spectrum K-119-1808-1e
Synonyms 2a1,4a-dimethyl-1,2a1,2b,4a-tetrahydrocyclopropa[cd]pentalene-2,3,4-tricarbonitrile 2a1,4a-dimethyl-2a,2a1,4,4a-tetrahydrocyclopropa[cd]pentalene-1,2,3-tricarbonitrile
Wiley ID 1794497