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Sebacic acid, dodecyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 2-isopropylphenyl ester
SpectraBase Compound ID 7qsMtutJOcQ
InChI InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-13-16-21-26-34-30(32)24-17-14-11-12-15-18-25-31(33)35-29-23-20-19-22-28(29)27(2)3/h19-20,22-23,27H,4-18,21,24-26H2,1-3H3
InChIKey NZOJBPNFGXEUSB-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACBDF9fOuTi
Name Sebacic acid, dodecyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-13-16-21-26-34-30(32)24-17-14-11-12-15-18-25-31(33)35-29-23-20-19-22-28(29)27(2)3/h19-20,22-23,27H,4-18,21,24-26H2,1-3H3
InChIKey NZOJBPNFGXEUSB-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCCCCCCCCCCCC)=O