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3',3'-(4-Oxonaphthalene-1,1(4H)-diyl)dipropanenitrile
SpectraBase Compound ID 595qphBWRIP
InChI InChI=1S/C16H14N2O/c17-11-3-8-16(9-4-12-18)10-7-15(19)13-5-1-2-6-14(13)16/h1-2,5-7,10H,3-4,8-9H2
InChIKey BPRYOVUCSZKKOX-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKTyZFRcAhs
Name 3',3'-(4-Oxonaphthalene-1,1(4H)-diyl)dipropanenitrile
Alternate Name(s) 3-[1-(2-cyanoethyl)-4-oxo-1,4-dihydro-1-naphthalenyl]propanenitrile
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Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c17-11-3-8-16(9-4-12-18)10-7-15(19)13-5-1-2-6-14(13)16/h1-2,5-7,10H,3-4,8-9H2
InChIKey BPRYOVUCSZKKOX-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES c12c(C(=O)C=CC2(CCC#N)CCC#N)cccc1
SPLASH splash10-002e-0910000000-92188719775f29e9bb97
Source of Spectrum O1-65-1365-11
Wiley ID 1593129