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Oxalic acid, hexadecyl isohexyl ester

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

Oxalic acid, hexadecyl isohexyl ester
SpectraBase Compound ID CAxCxtHv2XN
InChI InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(25)24(26)28-21-18-19-22(2)3/h22H,4-21H2,1-3H3
InChIKey ZEZQOKPTLIYJFK-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H46O4
Exact Mass 398.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CWJOzeoYREb
Name Oxalic acid, hexadecyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.339609957 u
Formula C24H46O4
InChI InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(25)24(26)28-21-18-19-22(2)3/h22H,4-21H2,1-3H3
InChIKey ZEZQOKPTLIYJFK-UHFFFAOYSA-N
Molecular Weight 398.628 g/mol
SMILES C(OC(C(=O)OCCCC(C)C)=O)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871098