| SpectraBase Spectrum ID |
Il97L6D7K2I |
| Name |
Phthalic 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/c1-4-7-9-11-15-19-26(20-16-12-10-8-5-2)24(27)22-17-13-14-18-23(22)25(28)29-21-6-3/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3 |
| InChIKey |
OAXLVIVQPGHAJI-UHFFFAOYSA-N |
| Molecular Weight |
403.607 g/mol |
| SMILES |
CCCOC(C1=C(C(N(CCCCCCC)CCCCCCC)=O)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970219 |
