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Sebacic acid, 4-phenoxybenzyl undecyl ester

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Sebacic acid, 4-phenoxybenzyl undecyl ester
SpectraBase Compound ID CarClKfqqQz
InChI InChI=1S/C34H50O5/c1-2-3-4-5-6-7-10-13-19-28-37-33(35)22-17-11-8-9-12-18-23-34(36)38-29-30-24-26-32(27-25-30)39-31-20-15-14-16-21-31/h14-16,20-21,24-27H,2-13,17-19,22-23,28-29H2,1H3
InChIKey JBOOZLLCBAIWQW-UHFFFAOYSA-N
Mol Weight 538.8 g/mol
Molecular Formula C34H50O5
Exact Mass 538.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FOc54XwuEmy
Name Sebacic acid, 4-phenoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 538.365824705 u
Formula C34H50O5
InChI InChI=1S/C34H50O5/c1-2-3-4-5-6-7-10-13-19-28-37-33(35)22-17-11-8-9-12-18-23-34(36)38-29-30-24-26-32(27-25-30)39-31-20-15-14-16-21-31/h14-16,20-21,24-27H,2-13,17-19,22-23,28-29H2,1H3
InChIKey JBOOZLLCBAIWQW-UHFFFAOYSA-N
Molecular Weight 538.769 g/mol
SMILES C(C(OCC1=CC=C(C=C1)OC1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCCCCC)=O