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4-Chloro-4-methyl-2-phenylpentanenitrile

View entire compound with spectra: 1 MS (GC)

4-Chloro-4-methyl-2-phenylpentanenitrile
SpectraBase Compound ID BAypEYR0OlX
InChI InChI=1S/C12H14ClN/c1-12(2,13)8-11(9-14)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKey PKMKSEJXBARZAE-UHFFFAOYSA-N
Mol Weight 207.7 g/mol
Molecular Formula C12H14ClN
Exact Mass 207.081477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86Hei3bUDEX
Name 4-Chloro-4-methyl-2-phenylpentanenitrile
Alternate Name(s) 4-Chloro-4-methyl-2-phenyl-pentanenitrile 4-Chloranyl-4-methyl-2-phenyl-pentanenitrile
CAS Registry Number 106070-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClN
InChI InChI=1S/C12H14ClN/c1-12(2,13)8-11(9-14)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3
InChIKey PKMKSEJXBARZAE-UHFFFAOYSA-N
Molecular Weight 207.704 g/mol
SMILES C(#N)C(CC(Cl)(C)C)c1ccccc1
SPLASH splash10-0159-0900000000-6d95d05341c4695a7b7d
Source of Spectrum AJ-59-1268-0
Wiley ID 1205784