| SpectraBase Spectrum ID |
4b05estM8QM |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.308644181 u |
| Formula |
C25H41NO3 |
| InChI |
InChI=1S/C25H41NO3/c1-4-7-9-11-13-18-26(19-14-12-10-8-5-2)24(27)22-16-15-17-23(21-22)25(28)29-20-6-3/h15-17,21H,4-14,18-20H2,1-3H3 |
| InChIKey |
MEYFTLOWWJJBQK-UHFFFAOYSA-N |
| Molecular Weight |
403.607 g/mol |
| SMILES |
C1=CC=C(C=C1C(N(CCCCCCC)CCCCCCC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966083 |
