| SpectraBase Spectrum ID |
6VlQsnY4NmY |
| Name |
Isophthalic acid, di(dec-2-yl) 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/c1-5-7-9-11-13-15-18-23(3)31-27(29)25-20-17-21-26(22-25)28(30)32-24(4)19-16-14-12-10-8-6-2/h17,20-24H,5-16,18-19H2,1-4H3 |
| InChIKey |
AZZXNKQCXJSCSM-UHFFFAOYSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OC(CCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959391 |
