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Fumaric acid, 3-phenylpropyl propyl ester

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Fumaric acid, 3-phenylpropyl propyl ester
SpectraBase Compound ID JzvS35PL4y1
InChI InChI=1S/C16H20O4/c1-2-12-19-15(17)10-11-16(18)20-13-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3/b11-10+
InChIKey ICZZCJPTSWFEEX-ZHACJKMWSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E9AnpfjwZg
Name Fumaric acid, 3-phenylpropyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-2-12-19-15(17)10-11-16(18)20-13-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3/b11-10+
InChIKey ICZZCJPTSWFEEX-ZHACJKMWSA-N
SMILES C(\C=C\C(OCCC)=O)(OCCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975941