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[2.2]paracyclophenyl-1-en-1-carbonitril
SpectraBase Compound ID 5SvOhcQDqpk
InChI InChI=1S/C17H13N/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-11H,1-2H2/b17-11-
InChIKey BWUDJKVEYNZERT-BOPFTXTBSA-N
Mol Weight 231.3 g/mol
Molecular Formula C17H13N
Exact Mass 231.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bWbJJkxCPB
Name [2.2]paracyclophenyl-1-en-1-carbonitril
Alternate Name(s) Tricyclo[8.2.2.2(4,7)]hexadeca-1(12),2,4,6,10,13,15-heptaene-2-carbonitrile
CAS Registry Number 100703-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N
InChI InChI=1S/C17H13N/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-11H,1-2H2/b17-11-
InChIKey BWUDJKVEYNZERT-BOPFTXTBSA-N
Molecular Weight 231.298 g/mol
SMILES c12\C=C/(c3ccc(CCc(cc2)cc1)cc3)C#N
SPLASH splash10-001i-0090000000-d7234a215205e85a06f8
Source of Spectrum K-119-1841-9
Wiley ID 1233090