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Sebacic acid, 4-bromophenyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-bromophenyl decyl ester
SpectraBase Compound ID 4jdq4BofpqE
InChI InChI=1S/C26H41BrO4/c1-2-3-4-5-6-9-12-15-22-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-20-18-23(27)19-21-24/h18-21H,2-17,22H2,1H3
InChIKey BNYSARVBHXNBML-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C26H41BrO4
Exact Mass 496.218823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAA1ocns8jo
Name Sebacic acid, 4-bromophenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.218822796 u
Formula C26H41BrO4
InChI InChI=1S/C26H41BrO4/c1-2-3-4-5-6-9-12-15-22-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-20-18-23(27)19-21-24/h18-21H,2-17,22H2,1H3
InChIKey BNYSARVBHXNBML-UHFFFAOYSA-N
Molecular Weight 497.514 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCCCCCCCCCC)=O