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Glutaric acid, heptadecyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptadecyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID H25RoNiDYX3
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)22-21-23-29(32)34-26-27(2)25-30(3,4)5/h27H,6-26H2,1-5H3
InChIKey LMMUIENDQILXNJ-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUWMmU3Yf12
Name Glutaric acid, heptadecyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)22-21-23-29(32)34-26-27(2)25-30(3,4)5/h27H,6-26H2,1-5H3
InChIKey LMMUIENDQILXNJ-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES C(OCC(CC(C)(C)C)C)(=O)CCCC(OCCCCCCCCCCCCCCCCC)=O