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[2.2]paracyclophan-1-carbontril
SpectraBase Compound ID KRkk8VA1rCF
InChI InChI=1S/C17H15N/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,17H,1-2,11H2
InChIKey SQECRINCGANZCG-UHFFFAOYSA-N
Mol Weight 233.31 g/mol
Molecular Formula C17H15N
Exact Mass 233.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dZEIeKYaNX
Name [2.2]paracyclophan-1-carbontril
Alternate Name(s) Tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-2-carbonitrile
CAS Registry Number 100703-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N
InChI InChI=1S/C17H15N/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,17H,1-2,11H2
InChIKey SQECRINCGANZCG-UHFFFAOYSA-N
Molecular Weight 233.314 g/mol
SMILES C(#N)C1c2ccc(cc2)CCc2ccc(C1)cc2
SPLASH splash10-0udi-0940000000-d80e74e92d4e9422866d
Source of Spectrum K-119-1841-12
Wiley ID 1235212