SpectraBase Spectrum ID |
H1BGleULBKi |
Name |
Oxalic acid, isobutyl octadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-23(25)24(26)28-21-22(2)3/h22H,4-21H2,1-3H3 |
InChIKey |
AFLSSOSHRYRKLF-UHFFFAOYSA-N |
Molecular Weight |
398.628 g/mol |
SMILES |
C(CCCOC(C(=O)OCC(C)C)=O)CCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943459 |