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2',5'-Dimethyldodecanophenone

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2',5'-Dimethyldodecanophenone
SpectraBase Compound ID KUgDqDikTR5
InChI InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-12-13-20(21)19-16-17(2)14-15-18(19)3/h14-16H,4-13H2,1-3H3
InChIKey LAYJKDXVCRNLGE-UHFFFAOYSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KqLT5xyvJ3i
Name 2',5'-Dimethyldodecanophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.245315649 u
Formula C20H32O
InChI InChI=1S/C20H32O/c1-4-5-6-7-8-9-10-11-12-13-20(21)19-16-17(2)14-15-18(19)3/h14-16H,4-13H2,1-3H3
InChIKey LAYJKDXVCRNLGE-UHFFFAOYSA-N
Molecular Weight 288.475 g/mol
SMILES C=1C(=C(C=CC1C)C)C(CCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.945599