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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl heptyl ester
SpectraBase Compound ID IZSJDGukbJH
InChI InChI=1S/C22H34O5/c1-6-7-8-9-12-15-25-20(23)18-13-10-11-14-19(18)21(24)27-17(2)16-26-22(3,4)5/h10-11,13-14,17H,6-9,12,15-16H2,1-5H3
InChIKey LSVGEJBLARENOE-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lvwy5E9W3h
Name Phthalic acid, 1-tert-butoxyprop-2-yl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-6-7-8-9-12-15-25-20(23)18-13-10-11-14-19(18)21(24)27-17(2)16-26-22(3,4)5/h10-11,13-14,17H,6-9,12,15-16H2,1-5H3
InChIKey LSVGEJBLARENOE-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O