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Sebacic acid, 4-iodobenzyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-iodobenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID G95fsNf977a
InChI InChI=1S/C24H37IO4/c1-4-11-22(19(2)3)29-24(27)13-10-8-6-5-7-9-12-23(26)28-18-20-14-16-21(25)17-15-20/h14-17,19,22H,4-13,18H2,1-3H3
InChIKey ZLMNRJOYKQPJNA-UHFFFAOYSA-N
Mol Weight 516.5 g/mol
Molecular Formula C24H37IO4
Exact Mass 516.173655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F045inINNKX
Name Sebacic acid, 4-iodobenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.173654667 u
Formula C24H37IO4
InChI InChI=1S/C24H37IO4/c1-4-11-22(19(2)3)29-24(27)13-10-8-6-5-7-9-12-23(26)28-18-20-14-16-21(25)17-15-20/h14-17,19,22H,4-13,18H2,1-3H3
InChIKey ZLMNRJOYKQPJNA-UHFFFAOYSA-N
Molecular Weight 516.460 g/mol
SMILES C(CCCCCCC(OC(CCC)C(C)C)=O)CC(OCC1=CC=C(C=C1)I)=O