For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Echinatin, bis(trimethylacetate)

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

Echinatin, bis(trimethylacetate)
SpectraBase Compound ID 7leo3q0TiYY
InChI InChI=1S/C26H30O6/c1-25(2,3)23(28)31-19-12-8-17(9-13-19)21(27)15-11-18-10-14-20(16-22(18)30-7)32-24(29)26(4,5)6/h8-16H,1-7H3/b15-11+
InChIKey ZFHXMEVYRZWCHR-RVDMUPIBSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Lhrd0hRS33l
Name Echinatin, bis(trimethylacetate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.204238680 u
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-25(2,3)23(28)31-19-12-8-17(9-13-19)21(27)15-11-18-10-14-20(16-22(18)30-7)32-24(29)26(4,5)6/h8-16H,1-7H3/b15-11+
InChIKey ZFHXMEVYRZWCHR-RVDMUPIBSA-N
Molecular Weight 438.520 g/mol
SMILES C(\C=C\C1=C(OC)C=C(C=C1)OC(C(C)(C)C)=O)(=O)C1=CC=C(C=C1)OC(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955352