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Succinic acid, hexyl non-4-enyl ester

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Succinic acid, hexyl non-4-enyl ester
SpectraBase Compound ID I9jbQl6s3J9
InChI InChI=1S/C19H34O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9+
InChIKey UFIFGKKZECJZCU-MDZDMXLPSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JppjRugSNoH
Name Succinic acid, hexyl non-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.245709571 u
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9+
InChIKey UFIFGKKZECJZCU-MDZDMXLPSA-N
Molecular Weight 326.477 g/mol
SMILES CCCC\C=C\CCCOC(CCC(OCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955473