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Glutaric acid, 8-chlorooctyl 4-biphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 4-biphenyl ester
SpectraBase Compound ID D3xyAmOhxdH
InChI InChI=1S/C25H31ClO4/c26-19-8-3-1-2-4-9-20-29-24(27)13-10-14-25(28)30-23-17-15-22(16-18-23)21-11-6-5-7-12-21/h5-7,11-12,15-18H,1-4,8-10,13-14,19-20H2
InChIKey TZGPSJWHAVGYCI-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mNGZlPQWpY
Name Glutaric acid, 8-chlorooctyl 4-biphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c26-19-8-3-1-2-4-9-20-29-24(27)13-10-14-25(28)30-23-17-15-22(16-18-23)21-11-6-5-7-12-21/h5-7,11-12,15-18H,1-4,8-10,13-14,19-20H2
InChIKey TZGPSJWHAVGYCI-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OCCCCCCCCCl)=O)C=C1