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

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 1-tert-butoxyprop-2-yl pentyl ester
SpectraBase Compound ID 1W2MAamHHaB
InChI InChI=1S/C20H30O5/c1-6-7-10-13-23-18(21)16-11-8-9-12-17(16)19(22)25-15(2)14-24-20(3,4)5/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
InChIKey VUSWZALBSQVHEO-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UdNe6c3xjt
Name Phthalic acid, 1-tert-butoxyprop-2-yl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.209324061 u
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-6-7-10-13-23-18(21)16-11-8-9-12-17(16)19(22)25-15(2)14-24-20(3,4)5/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
InChIKey VUSWZALBSQVHEO-UHFFFAOYSA-N
Molecular Weight 350.455 g/mol
SMILES C1=CC=CC(=C1C(OCCCCC)=O)C(OC(C)COC(C)(C)C)=O