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Oxalic acid, isobutyl heptadecyl ester

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

Oxalic acid, isobutyl heptadecyl ester
SpectraBase Compound ID 6oxPYcZUF89
InChI InChI=1S/C23H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-22(24)23(25)27-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey ZFBPDWLBZINNMG-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30r9dw9gYFB
Name Oxalic acid, isobutyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.323959893 u
Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-22(24)23(25)27-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey ZFBPDWLBZINNMG-UHFFFAOYSA-N
Molecular Weight 384.601 g/mol
SMILES C(CCCCOC(C(=O)OCC(C)C)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930609