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

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

Succinic acid, 3-methylbut-2-en-1-yl 3-methylpentyl ester
SpectraBase Compound ID 7DHouXTf2fL
InChI InChI=1S/C15H26O4/c1-5-13(4)9-11-19-15(17)7-6-14(16)18-10-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKey AKDJEEJSIBYDSV-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 4wOOiUARM1R
Name Succinic acid, 3-methylbut-2-en-1-yl 3-methylpentyl 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/c1-5-13(4)9-11-19-15(17)7-6-14(16)18-10-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKey AKDJEEJSIBYDSV-UHFFFAOYSA-N
Molecular Weight 270.369 g/mol
SMILES C(CC(OCC=C(C)C)=O)C(OCCC(C)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951286