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Succinic acid, dodec-2-en-1-yl 3-phenoxybenzyl ester
SpectraBase Compound ID JfdAzhieQJ2
InChI InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-22-32-28(30)20-21-29(31)33-24-25-16-15-19-27(23-25)34-26-17-12-11-13-18-26/h10-19,23H,2-9,20-22,24H2,1H3/b14-10+
InChIKey HKUSUYGPOQCWSP-GXDHUFHOSA-N
Mol Weight 466.6 g/mol
Molecular Formula C29H38O5
Exact Mass 466.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76mqtaAzQR9
Name Succinic acid, dodec-2-en-1-yl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.271924319 u
Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-22-32-28(30)20-21-29(31)33-24-25-16-15-19-27(23-25)34-26-17-12-11-13-18-26/h10-19,23H,2-9,20-22,24H2,1H3/b14-10+
InChIKey HKUSUYGPOQCWSP-GXDHUFHOSA-N
Molecular Weight 466.618 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O