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Phthalic acid, 2-isopropoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-isopropoxyphenyl undecyl ester
SpectraBase Compound ID HKJFpuG464l
InChI InChI=1S/C28H38O5/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)23-17-12-13-18-24(23)28(30)33-26-20-15-14-19-25(26)32-22(2)3/h12-15,17-20,22H,4-11,16,21H2,1-3H3
InChIKey QNDHVCWQTAPUJM-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IPjq7wpPd1
Name Phthalic acid, 2-isopropoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.271924319 u
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)23-17-12-13-18-24(23)28(30)33-26-20-15-14-19-25(26)32-22(2)3/h12-15,17-20,22H,4-11,16,21H2,1-3H3
InChIKey QNDHVCWQTAPUJM-UHFFFAOYSA-N
Molecular Weight 454.607 g/mol
SMILES C(C1=C(C(OCCCCCCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O