| SpectraBase Spectrum ID |
Je5MJ7L8MgK |
| Name |
Isophthalic acid, dec-2-yl undecyl 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/c1-4-6-8-10-12-13-14-16-18-23-32-28(30)26-21-19-22-27(24-26)29(31)33-25(3)20-17-15-11-9-7-5-2/h19,21-22,24-25H,4-18,20,23H2,1-3H3 |
| InChIKey |
OVSWQVGLZXXPLT-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93406 |
