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Glutaric acid, 2-bromobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-bromobenzyl undecyl ester
SpectraBase Compound ID GCwvlXtuqQy
InChI InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-12-18-27-22(25)16-13-17-23(26)28-19-20-14-10-11-15-21(20)24/h10-11,14-15H,2-9,12-13,16-19H2,1H3
InChIKey ZXIFUBUHYMFNOM-UHFFFAOYSA-N
Mol Weight 455.4 g/mol
Molecular Formula C23H35BrO4
Exact Mass 454.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A7qhLVHIkn
Name Glutaric acid, 2-bromobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.171872603 u
Formula C23H35BrO4
InChI InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-12-18-27-22(25)16-13-17-23(26)28-19-20-14-10-11-15-21(20)24/h10-11,14-15H,2-9,12-13,16-19H2,1H3
InChIKey ZXIFUBUHYMFNOM-UHFFFAOYSA-N
Molecular Weight 455.433 g/mol
SMILES C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCCCCCCC)=O