| SpectraBase Spectrum ID |
Ditxk7iGvg0 |
| Name |
Oxalic acid, 2-isopropylphenyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)29(31)33-27-23-20-19-22-26(27)25(2)3/h19-20,22-23,25H,4-18,21,24H2,1-3H3 |
| InChIKey |
HFYWSHJCDCNFFT-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C(CCCOC(C(=O)OC1=C(C=CC=C1)C(C)C)=O)CCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863561 |
