| SpectraBase Spectrum ID |
Leb5cTEHcKT |
| Name |
Isophthalic acid, monoamide, N,N-diisobutyl-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.324294246 u |
| Formula |
C26H43NO3 |
| InChI |
InChI=1S/C26H43NO3/c1-6-7-8-9-10-11-12-13-17-30-26(29)24-16-14-15-23(18-24)25(28)27(19-21(2)3)20-22(4)5/h14-16,18,21-22H,6-13,17,19-20H2,1-5H3 |
| InChIKey |
DMJGYSRWVQBNIE-UHFFFAOYSA-N |
| Molecular Weight |
417.634 g/mol |
| SMILES |
C(N(C(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O)CC(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854877 |
