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Succinic acid, 3-methylbut-2-en-1-yl 3-hexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, 3-methylbut-2-en-1-yl 3-hexyl ester
SpectraBase Compound ID K5IYXXyLo8w
InChI InChI=1S/C15H26O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h10,13H,5-9,11H2,1-4H3
InChIKey QWNXFYFHFHZOBN-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 37sawWanF4q
Name Succinic acid, 3-methylbut-2-en-1-yl 3-hexyl 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/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h10,13H,5-9,11H2,1-4H3
InChIKey QWNXFYFHFHZOBN-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C(CC(OCC=C(C)C)=O)C(OC(CCC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954922