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Phthalic acid, 3-bromobenzyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-bromobenzyl decyl ester
SpectraBase Compound ID JxziyxNAZ8t
InChI InChI=1S/C25H31BrO4/c1-2-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19-20-13-12-14-21(26)18-20/h9-10,12-16,18H,2-8,11,17,19H2,1H3
InChIKey LWMFHFKQKUWPCI-UHFFFAOYSA-N
Mol Weight 475.42 g/mol
Molecular Formula C25H31BrO4
Exact Mass 474.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlKAKQKFr7r
Name Phthalic acid, 3-bromobenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.140572474 u
Formula C25H31BrO4
InChI InChI=1S/C25H31BrO4/c1-2-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19-20-13-12-14-21(26)18-20/h9-10,12-16,18H,2-8,11,17,19H2,1H3
InChIKey LWMFHFKQKUWPCI-UHFFFAOYSA-N
Molecular Weight 475.423 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OCC1=CC=CC(=C1)Br)=O