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Oxalic acid, heptadecyl 2-isopropylphenyl ester

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

Oxalic acid, heptadecyl 2-isopropylphenyl ester
SpectraBase Compound ID LqHF3zn09Mk
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)28(30)32-26-22-19-18-21-25(26)24(2)3/h18-19,21-22,24H,4-17,20,23H2,1-3H3
InChIKey RQYFWUSYKSKHDP-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2c82cLudJq1
Name Oxalic acid, heptadecyl 2-isopropylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)28(30)32-26-22-19-18-21-25(26)24(2)3/h18-19,21-22,24H,4-17,20,23H2,1-3H3
InChIKey RQYFWUSYKSKHDP-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCOC(C(=O)OC1=C(C=CC=C1)C(C)C)=O)CCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834616