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2,6-Dimethoxy-4-(1,1-dimethylheptyl)cinnamic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

2,6-Dimethoxy-4-(1,1-dimethylheptyl)cinnamic acid
SpectraBase Compound ID Dh9pnB4zfc
InChI InChI=1S/C20H30O4/c1-6-7-8-9-12-20(2,3)15-13-17(23-4)16(10-11-19(21)22)18(14-15)24-5/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,22)
InChIKey UJYCGLMYDOOKND-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CCG5MFM6if0
Name 2,6-Dimethoxy-4-(1,1-dimethylheptyl)cinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-6-7-8-9-12-20(2,3)15-13-17(23-4)16(10-11-19(21)22)18(14-15)24-5/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,22)
InChIKey UJYCGLMYDOOKND-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES OC(=O)C=CC=1C(=CC(=CC1OC)C(C)(C)CCCCCC)OC
Spectrum/Structure Validation Score (Raman) 0.823476