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Oxalic acid, hexadecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Oxalic acid, hexadecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 7U9CsHIu0IS
InChI InChI=1S/C27H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)27(29)32-25-21-18-17-20-24(25)31-23(2)3/h17-18,20-21,23H,4-16,19,22H2,1-3H3
InChIKey RQGLLHVAWFHHNT-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xUjgZUdm9l
Name Oxalic acid, hexadecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)27(29)32-25-21-18-17-20-24(25)31-23(2)3/h17-18,20-21,23H,4-16,19,22H2,1-3H3
InChIKey RQGLLHVAWFHHNT-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCCCCOC(C(OC1=CC=CC=C1OC(C)C)=O)=O)CCCCCCCCCC