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Succinic acid, isohexyl pent-4-enyl ester

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Succinic acid, isohexyl pent-4-enyl ester
SpectraBase Compound ID 3u7hWf2MpJW
InChI InChI=1S/C15H26O4/c1-4-5-6-11-18-14(16)9-10-15(17)19-12-7-8-13(2)3/h4,13H,1,5-12H2,2-3H3
InChIKey FSWBYSGFMLXPJX-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BnRtGWJEGAT
Name Succinic acid, isohexyl pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-4-5-6-11-18-14(16)9-10-15(17)19-12-7-8-13(2)3/h4,13H,1,5-12H2,2-3H3
InChIKey FSWBYSGFMLXPJX-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C=CCCCOC(CCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859012