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Succinic acid, 8-chlorooctyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 8-chlorooctyl 3-phenoxybenzyl ester
SpectraBase Compound ID Jy7wqhM3RVi
InChI InChI=1S/C25H31ClO5/c26-17-8-3-1-2-4-9-18-29-24(27)15-16-25(28)30-20-21-11-10-14-23(19-21)31-22-12-6-5-7-13-22/h5-7,10-14,19H,1-4,8-9,15-18,20H2
InChIKey VQTPZKFQKUYZLH-UHFFFAOYSA-N
Mol Weight 446.97 g/mol
Molecular Formula C25H31ClO5
Exact Mass 446.186002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GUuBvQjehu
Name Succinic acid, 8-chlorooctyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.186001793 u
Formula C25H31ClO5
InChI InChI=1S/C25H31ClO5/c26-17-8-3-1-2-4-9-18-29-24(27)15-16-25(28)30-20-21-11-10-14-23(19-21)31-22-12-6-5-7-13-22/h5-7,10-14,19H,1-4,8-9,15-18,20H2
InChIKey VQTPZKFQKUYZLH-UHFFFAOYSA-N
Molecular Weight 446.971 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O