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Phthalic acid, 1-tert-butoxyprop-2-yl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl dodecyl ester
SpectraBase Compound ID 6KIzHjcGrnJ
InChI InChI=1S/C27H44O5/c1-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)32-22(2)21-31-27(3,4)5/h15-16,18-19,22H,6-14,17,20-21H2,1-5H3
InChIKey XTWVPOSIWZASTQ-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 6cA117mIa7
Name Phthalic acid, 1-tert-butoxyprop-2-yl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.318874512 u
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)32-22(2)21-31-27(3,4)5/h15-16,18-19,22H,6-14,17,20-21H2,1-5H3
InChIKey XTWVPOSIWZASTQ-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O