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Phthalic acid, 3-bromobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-bromobenzyl heptyl ester
SpectraBase Compound ID ED7lelrY4Ad
InChI InChI=1S/C22H25BrO4/c1-2-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16-17-10-9-11-18(23)15-17/h6-7,9-13,15H,2-5,8,14,16H2,1H3
InChIKey YDJQJIGGKYSOAY-UHFFFAOYSA-N
Mol Weight 433.34 g/mol
Molecular Formula C22H25BrO4
Exact Mass 432.093622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gz0PO7GUZhI
Name Phthalic acid, 3-bromobenzyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.093622281 u
Formula C22H25BrO4
InChI InChI=1S/C22H25BrO4/c1-2-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16-17-10-9-11-18(23)15-17/h6-7,9-13,15H,2-5,8,14,16H2,1H3
InChIKey YDJQJIGGKYSOAY-UHFFFAOYSA-N
Molecular Weight 433.342 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCC)=O)C(OCC1=CC=CC(=C1)Br)=O