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Glutaric acid, 2-bromobenzyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-bromobenzyl heptadecyl ester
SpectraBase Compound ID EUMUk4Uzepn
InChI InChI=1S/C29H47BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)22-19-23-29(32)34-25-26-20-16-17-21-27(26)30/h16-17,20-21H,2-15,18-19,22-25H2,1H3
InChIKey MVVOMXHSZMBANZ-UHFFFAOYSA-N
Mol Weight 539.6 g/mol
Molecular Formula C29H47BrO4
Exact Mass 538.265773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6awRsJV3jp2
Name Glutaric acid, 2-bromobenzyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.265772989 u
Formula C29H47BrO4
InChI InChI=1S/C29H47BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)22-19-23-29(32)34-25-26-20-16-17-21-27(26)30/h16-17,20-21H,2-15,18-19,22-25H2,1H3
InChIKey MVVOMXHSZMBANZ-UHFFFAOYSA-N
Molecular Weight 539.595 g/mol
SMILES C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O