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Succinic acid, 2-ethylhexyl 3-methylbut-2-yl ester

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

Succinic acid, 2-ethylhexyl 3-methylbut-2-yl ester
SpectraBase Compound ID AwmJuYH1JvC
InChI InChI=1S/C17H32O4/c1-6-8-9-15(7-2)12-20-16(18)10-11-17(19)21-14(5)13(3)4/h13-15H,6-12H2,1-5H3
InChIKey YXHXOESWMAMBKO-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KRBIa0yMSio
Name Succinic acid, 2-ethylhexyl 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.230059506 u
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-6-8-9-15(7-2)12-20-16(18)10-11-17(19)21-14(5)13(3)4/h13-15H,6-12H2,1-5H3
InChIKey YXHXOESWMAMBKO-UHFFFAOYSA-N
SMILES C(CC(OCC(CC)CCCC)=O)C(OC(C(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96978