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Succinic acid, hexadecyl pent-4-enyl ester

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Succinic acid, hexadecyl pent-4-enyl ester
SpectraBase Compound ID IakZTWlqJxM
InChI InChI=1S/C25H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4H,2-3,5-23H2,1H3
InChIKey WUEPWNYJUKNLFG-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AGyx6pfJrJq
Name Succinic acid, hexadecyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4H,2-3,5-23H2,1H3
InChIKey WUEPWNYJUKNLFG-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES C=CCCCOC(CCC(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800603