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Glutaric acid, 2-bromobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-bromobenzyl pentadecyl ester
SpectraBase Compound ID 2DUok0yTPua
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-31-26(29)20-17-21-27(30)32-23-24-18-14-15-19-25(24)28/h14-15,18-19H,2-13,16-17,20-23H2,1H3
InChIKey SEVVYKVWGBURQR-UHFFFAOYSA-N
Mol Weight 511.5 g/mol
Molecular Formula C27H43BrO4
Exact Mass 510.234473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35Df3L9hRFW
Name Glutaric acid, 2-bromobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.234472861 u
Formula C27H43BrO4
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-31-26(29)20-17-21-27(30)32-23-24-18-14-15-19-25(24)28/h14-15,18-19H,2-13,16-17,20-23H2,1H3
InChIKey SEVVYKVWGBURQR-UHFFFAOYSA-N
Molecular Weight 511.541 g/mol
SMILES C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCCCCCCCCCCC)=O