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Sebacic acid, 2-(4-bromophenoxy)ethyl ethyl ester
SpectraBase Compound ID 5HPYmbQ6IhO
InChI InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3
InChIKey STOVXNLCODTLNQ-UHFFFAOYSA-N
Mol Weight 429.35 g/mol
Molecular Formula C20H29BrO5
Exact Mass 428.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJBJlechXhi
Name Sebacic acid, 2-(4-bromophenoxy)ethyl ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.119837029 u
Formula C20H29BrO5
InChI InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3
InChIKey STOVXNLCODTLNQ-UHFFFAOYSA-N
Molecular Weight 429.351 g/mol
SMILES C(CCCCCCC(OCC)=O)CC(OCCOC1=CC=C(C=C1)Br)=O