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Sebacic acid, 2,6-dimethoxyphenyl ethyl ester

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Sebacic acid, 2,6-dimethoxyphenyl ethyl ester
SpectraBase Compound ID L0VFxLQ3qsk
InChI InChI=1S/C20H30O6/c1-4-25-18(21)14-9-7-5-6-8-10-15-19(22)26-20-16(23-2)12-11-13-17(20)24-3/h11-13H,4-10,14-15H2,1-3H3
InChIKey MFPLOSIVIOHSFB-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6F56LyMQUAs
Name Sebacic acid, 2,6-dimethoxyphenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.204238680 u
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-4-25-18(21)14-9-7-5-6-8-10-15-19(22)26-20-16(23-2)12-11-13-17(20)24-3/h11-13H,4-10,14-15H2,1-3H3
InChIKey MFPLOSIVIOHSFB-UHFFFAOYSA-N
Molecular Weight 366.454 g/mol
SMILES C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884885