| SpectraBase Spectrum ID |
5Jwho6lSsz4 |
| Name |
Phthalic acid, monoamide, N,N-dioctyl, ethyl 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/c1-4-7-9-11-13-17-21-27(22-18-14-12-10-8-5-2)25(28)23-19-15-16-20-24(23)26(29)30-6-3/h15-16,19-20H,4-14,17-18,21-22H2,1-3H3 |
| InChIKey |
GYLVQJKJSUVWSU-UHFFFAOYSA-N |
| Molecular Weight |
417.634 g/mol |
| SMILES |
C(N(CCCCCCCC)CCCCCCCC)(=O)C1=C(C=CC=C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932368 |
