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Sebacic acid, 4-isopropoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-isopropoxyphenyl undecyl ester
SpectraBase Compound ID 6FWkM8QlUk5
InChI InChI=1S/C30H50O5/c1-4-5-6-7-8-9-12-15-18-25-33-29(31)19-16-13-10-11-14-17-20-30(32)35-28-23-21-27(22-24-28)34-26(2)3/h21-24,26H,4-20,25H2,1-3H3
InChIKey OPPXDBCPURKPGR-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H50O5
Exact Mass 490.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7m32T6X8IL5
Name Sebacic acid, 4-isopropoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 490.365824705 u
Formula C30H50O5
InChI InChI=1S/C30H50O5/c1-4-5-6-7-8-9-12-15-18-25-33-29(31)19-16-13-10-11-14-17-20-30(32)35-28-23-21-27(22-24-28)34-26(2)3/h21-24,26H,4-20,25H2,1-3H3
InChIKey OPPXDBCPURKPGR-UHFFFAOYSA-N
Molecular Weight 490.725 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCCCCCCCCCC)=O