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Benzeneacetonitrile, alpha,alpha,4-trimethyl-2-methyl-2-p-tolylpropionitrile

View entire compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)

Benzeneacetonitrile, alpha,alpha,4-trimethyl-2-methyl-2-p-tolylpropionitrile
SpectraBase Compound ID 9uKotf3fD51
InChI InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,1-3H3
InChIKey VCSBTPVGIGROGB-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7A9ig0n3bCU
Name Benzeneacetonitrile, alpha,alpha,4-trimethyl-2-methyl-2-p-tolylpropionitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 159.104799423 u
Formula C11H13N
InChI InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,1-3H3
InChIKey VCSBTPVGIGROGB-UHFFFAOYSA-N
Molecular Weight 159.232 g/mol
SMILES C1=C(C=CC(=C1)C)C(C#N)(C)C
Spectrum/Structure Validation Score (Raman) 0.932969