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Succinic acid, 4-iodobenzyl isobutyl ester

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

Succinic acid, 4-iodobenzyl isobutyl ester
SpectraBase Compound ID Kw1inzKeuyD
InChI InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKey SFWDVLPTKKCXBN-UHFFFAOYSA-N
Mol Weight 390.22 g/mol
Molecular Formula C15H19IO4
Exact Mass 390.032804 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FQcp4O5TBoM
Name Succinic acid, 4-iodobenzyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.032804088 u
Formula C15H19IO4
InChI InChI=1S/C15H19IO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKey SFWDVLPTKKCXBN-UHFFFAOYSA-N
Molecular Weight 390.217 g/mol
SMILES C1(=CC=C(C=C1)COC(=O)CCC(OCC(C)C)=O)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.825911