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4-Methyl-4-phenyl-1-pentanal; 4-methyl-4-phenylvaleraldehyde; benzenebutanal, gamma,gamma-dimethyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

4-Methyl-4-phenyl-1-pentanal; 4-methyl-4-phenylvaleraldehyde; benzenebutanal, gamma,gamma-dimethyl-
SpectraBase Compound ID 11USMoOkFwo
InChI InChI=1S/C12H16O/c1-12(2,9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3
InChIKey APKNPKPWUGHGGP-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GzLvFEUZIzF
Name 4-Methyl-4-phenyl-1-pentanal; 4-methyl-4-phenylvaleraldehyde; benzenebutanal, gamma,gamma-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-12(2,9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3
InChIKey APKNPKPWUGHGGP-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C1(=CC=CC=C1)C(CCC=O)(C)C
Spectrum/Structure Validation Score (Raman) 0.989785