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(E)-2-butenedioic acid O1-ethyl ester O4-octyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-2-butenedioic acid O1-ethyl ester O4-octyl ester
SpectraBase Compound ID C8iUI0Cqd1p
InChI InChI=1S/C14H24O4/c1-3-5-6-7-8-9-12-18-14(16)11-10-13(15)17-4-2/h10-11H,3-9,12H2,1-2H3/b11-10+
InChIKey UVLWRTIHOMYLHX-ZHACJKMWSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4SVRsSfi0zK
Name (E)-2-Butenedioic acid O1-ethyl ester O4-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-3-5-6-7-8-9-12-18-14(16)11-10-13(15)17-4-2/h10-11H,3-9,12H2,1-2H3/b11-10+
InChIKey UVLWRTIHOMYLHX-ZHACJKMWSA-N
Molecular Weight 256.342 g/mol
SMILES C(\C=C\C(=O)OCC)(=O)OCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830376