| SpectraBase Spectrum ID |
2YwdOo9VBWf |
| Name |
Isophthalic acid, di(undec-2-en-1-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.339609957 u |
| Formula |
C30H46O4 |
| InChI |
InChI=1S/C30H46O4/c1-3-5-7-9-11-13-15-17-19-24-33-29(31)27-22-21-23-28(26-27)30(32)34-25-20-18-16-14-12-10-8-6-4-2/h17-23,26H,3-16,24-25H2,1-2H3/b19-17+,20-18+ |
| InChIKey |
YHWOVSJMYXLLGW-XPWSMXQVSA-N |
| Molecular Weight |
470.694 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(OC\C=C\CCCCCCCC)=O)C(OC\C=C\CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832256 |
