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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-tert-butoxyprop-2-yl nonyl ester
SpectraBase Compound ID 23iF87GQR2v
InChI InChI=1S/C24H38O5/c1-6-7-8-9-10-11-14-17-27-22(25)20-15-12-13-16-21(20)23(26)29-19(2)18-28-24(3,4)5/h12-13,15-16,19H,6-11,14,17-18H2,1-5H3
InChIKey DDCRIZZZOHSBCA-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8G2utalxpju
Name Phthalic acid, 1-tert-butoxyprop-2-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-6-7-8-9-10-11-14-17-27-22(25)20-15-12-13-16-21(20)23(26)29-19(2)18-28-24(3,4)5/h12-13,15-16,19H,6-11,14,17-18H2,1-5H3
InChIKey DDCRIZZZOHSBCA-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OC(C)COC(C)(C)C)=O