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Fumaric acid, 2-methoxyethyl propyl ester

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Fumaric acid, 2-methoxyethyl propyl ester
SpectraBase Compound ID HpjUOI6Ef6m
InChI InChI=1S/C10H16O5/c1-3-6-14-9(11)4-5-10(12)15-8-7-13-2/h4-5H,3,6-8H2,1-2H3/b5-4+
InChIKey LPEOVFYMWBSSFA-SNAWJCMRSA-N
Mol Weight 216.23 g/mol
Molecular Formula C10H16O5
Exact Mass 216.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hd5BRye3I9F
Name Fumaric acid, 2-methoxyethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.099773610 u
Formula C10H16O5
InChI InChI=1S/C10H16O5/c1-3-6-14-9(11)4-5-10(12)15-8-7-13-2/h4-5H,3,6-8H2,1-2H3/b5-4+
InChIKey LPEOVFYMWBSSFA-SNAWJCMRSA-N
Molecular Weight 216.233 g/mol
SMILES CCCOC(\C=C\C(OCCOC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933242