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3,3'-(1,3-phenylene)dipropanenitrile
SpectraBase Compound ID GRuNRJumFUi
InChI InChI=1S/C12H12N2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10H,2-3,6-7H2
InChIKey PRNKOJAULIDNLU-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tdOU2YHb2u
Name 3,3'-(1,3-phenylene)dipropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2
InChI InChI=1S/C12H12N2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10H,2-3,6-7H2
InChIKey PRNKOJAULIDNLU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2015972
Molecular Weight 184.242 g/mol
SMILES c1(CCC#N)cc(CCC#N)ccc1
SPLASH splash10-0fr6-2900000000-867ac7429113189ef69a
Source of Spectrum A1-13-4084/SMS4-3e
Synonyms 3-[3-(2-Cyanoethyl)phenyl]propanenitrile
Wiley ID 1753597