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3-[(Diisopropylphosphoryl)methyl]benzonitrile
SpectraBase Compound ID 2EAewoGj0l8
InChI InChI=1S/C14H20NOP/c1-11(2)17(16,12(3)4)10-14-7-5-6-13(8-14)9-15/h5-8,11-12H,10H2,1-4H3
InChIKey XWXLGRKZBVPABR-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C14H20NOP
Exact Mass 249.128251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvgoKeCbmnv
Name 3-[(Diisopropylphosphoryl)methyl]benzonitrile
Alternate Name(s) 3-(Diisopropyl-phosphinoylmethyl)-benzonitrile 3-[di(propan-2-yl)phosphorylmethyl]benzenecarbonitrile 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile
CAS Registry Number 81373-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20NOP
InChI InChI=1S/C14H20NOP/c1-11(2)17(16,12(3)4)10-14-7-5-6-13(8-14)9-15/h5-8,11-12H,10H2,1-4H3
InChIKey XWXLGRKZBVPABR-UHFFFAOYSA-N
Molecular Weight 249.294 g/mol
SMILES c1(CP(C(C)C)(C(C)C)=O)cc(ccc1)C#N
SPLASH splash10-0006-9410000000-7bfcd470b06f12a37b6f
Wiley ID 1459100