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4-(2-furoyl)-4-methylheptanedinitrile

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

4-(2-furoyl)-4-methylheptanedinitrile
SpectraBase Compound ID EAlYwUjoaNi
InChI InChI=1S/C13H14N2O2/c1-13(6-3-8-14,7-4-9-15)12(16)11-5-2-10-17-11/h2,5,10H,3-4,6-7H2,1H3
InChIKey HCAQRMDJEKFXGO-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LeQmZCu3sB
Name 4-(2-furoyl)-4-methyl-pimelonitrile
Alternate Name(s) 4-(furan-2-carbonyl)-4-methyl-heptanedinitrile 4-(furan-2-ylcarbonyl)-4-methyl-heptanedinitrile 4-[2-furanyl(oxo)methyl]-4-methylheptanedinitrile Heptanedinitrile, 4-(furan-2-carbonyl)-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-13(6-3-8-14,7-4-9-15)12(16)11-5-2-10-17-11/h2,5,10H,3-4,6-7H2,1H3
InChIKey HCAQRMDJEKFXGO-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES C(c1occc1)(C(CCC#N)(CCC#N)C)=O
SPLASH splash10-000e-9100000000-370e87bc475537dc36ba
Wiley ID 1436947