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7,8-Dioxo-8-phenyloctanenitrile
SpectraBase Compound ID 7XevmbUUHrf
InChI InChI=1S/C14H15NO2/c15-11-7-2-1-6-10-13(16)14(17)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10H2
InChIKey URVFCRHEWFADLV-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HqmDYxorha
Name 7,8-Dioxo-8-phenyloctanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c15-11-7-2-1-6-10-13(16)14(17)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10H2
InChIKey URVFCRHEWFADLV-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA03772G
Molecular Weight 229.279 g/mol
SMILES C(#N)CCCCCC(C(c1ccccc1)=O)=O
SPLASH splash10-0a6r-0900000000-7f9d3d402e18bd360c3a
Source of Spectrum RSA-5-36652/SM2-5gd
Wiley ID 1805507