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Fumaric acid, isobutyl 2-methoxyethyl ester

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Fumaric acid, isobutyl 2-methoxyethyl ester
SpectraBase Compound ID FofbW066Dbv
InChI InChI=1S/C11H18O5/c1-9(2)8-16-11(13)5-4-10(12)15-7-6-14-3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKey BDARGYBBPMRKOM-SNAWJCMRSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ads2SJAiAVp
Name Fumaric acid, isobutyl 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.115423675 u
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-9(2)8-16-11(13)5-4-10(12)15-7-6-14-3/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKey BDARGYBBPMRKOM-SNAWJCMRSA-N
Molecular Weight 230.260 g/mol
SMILES CC(COC(\C=C\C(OCCOC)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956562