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Benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID LQsjmxg0aHO
InChI InChI=1S/C21H23BrO4/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)21(24)26-15-20(23)16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3
InChIKey NAJGPJFEGKSAGY-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C21H23BrO4
Exact Mass 418.077972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iyun3rYSnSW
Name Benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.077972217 u
Formula C21H23BrO4
InChI InChI=1S/C21H23BrO4/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)21(24)26-15-20(23)16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3
InChIKey NAJGPJFEGKSAGY-UHFFFAOYSA-N
Molecular Weight 419.315 g/mol
SMILES C(OCC(C=1C=CC(=CC1)Br)=O)(C1=CC=C(C=C1)OCCCCCC)=O