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Succinic acid, 3,3-dimethylbut-2-yl octadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3,3-dimethylbut-2-yl octadecyl ester
SpectraBase Compound ID 77T9PP6TB5e
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)22-23-27(30)32-25(2)28(3,4)5/h25H,6-24H2,1-5H3
InChIKey NMKFMNBKDMNZKE-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID n5doz1yy2P
Name Succinic acid, 3,3-dimethylbut-2-yl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)22-23-27(30)32-25(2)28(3,4)5/h25H,6-24H2,1-5H3
InChIKey NMKFMNBKDMNZKE-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES C(CC(OC(C(C)(C)C)C)=O)C(OCCCCCCCCCCCCCCCCCC)=O