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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl decyl ester
SpectraBase Compound ID GY2EpieGRA0
InChI InChI=1S/C25H40O5/c1-6-7-8-9-10-11-12-15-18-28-23(26)21-16-13-14-17-22(21)24(27)30-20(2)19-29-25(3,4)5/h13-14,16-17,20H,6-12,15,18-19H2,1-5H3
InChIKey IYSCGPDGAACGGX-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs1oMZqWJu6
Name Phthalic acid, 1-tert-butoxyprop-2-yl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-6-7-8-9-10-11-12-15-18-28-23(26)21-16-13-14-17-22(21)24(27)30-20(2)19-29-25(3,4)5/h13-14,16-17,20H,6-12,15,18-19H2,1-5H3
InChIKey IYSCGPDGAACGGX-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O