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3-methyl-3-phenylbutyronitrile
SpectraBase Compound ID 1POJV1KOgL1
InChI InChI=1S/C11H13N/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey GDMNROWUYDCXRE-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0bUESAK1e9
Name 3-methyl-3-phenyl-butanenitrile
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820831
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey GDMNROWUYDCXRE-UHFFFAOYSA-N
Molecular Weight 159.232 g/mol
SMILES c1ccc(cc1)C(C)(C)CC#N
SPLASH splash10-016r-9000000000-cb4586cc1e541369d534
Synonyms 3-methyl-3-phenyl-butyronitrile
Wiley ID 1471811