| SpectraBase Spectrum ID |
6aLqYHrZlQQ |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.355594374 u |
| Formula |
C28H47NO3 |
| InChI |
InChI=1S/C28H47NO3/c1-4-7-10-13-15-21-29(22-16-14-11-8-5-2)27(30)25-19-18-20-26(24-25)28(31)32-23-17-12-9-6-3/h18-20,24H,4-17,21-23H2,1-3H3 |
| InChIKey |
KJRWJJOSYNCZHS-UHFFFAOYSA-N |
| Molecular Weight |
445.688 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876074 |
