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3-Heptanone, 2,2,6,6-tetramethyl-5-(2,4,6-trimethoxyphenyl)-

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

3-Heptanone, 2,2,6,6-tetramethyl-5-(2,4,6-trimethoxyphenyl)-
SpectraBase Compound ID AcfKR637w5W
InChI InChI=1S/C20H32O4/c1-19(2,3)14(12-17(21)20(4,5)6)18-15(23-8)10-13(22-7)11-16(18)24-9/h10-11,14H,12H2,1-9H3
InChIKey WDJYBVRLYSOCNZ-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ex4OLUSSxgY
Name 3-Heptanone, 2,2,6,6-tetramethyl-5-(2,4,6-trimethoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-19(2,3)14(12-17(21)20(4,5)6)18-15(23-8)10-13(22-7)11-16(18)24-9/h10-11,14H,12H2,1-9H3
InChIKey WDJYBVRLYSOCNZ-UHFFFAOYSA-N
Molecular Weight 336.472 g/mol
SMILES C=1(C(CC(C(C)(C)C)=O)C(C)(C)C)C(=CC(=CC1OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964458