| SpectraBase Spectrum ID |
33Cq2RuXDzM |
| Name |
Phthalic acid, monoamide, N,N-dinonyl, ethyl 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/c1-4-7-9-11-13-15-19-23-29(24-20-16-14-12-10-8-5-2)27(30)25-21-17-18-22-26(25)28(31)32-6-3/h17-18,21-22H,4-16,19-20,23-24H2,1-3H3 |
| InChIKey |
JCXIHFRWZGPPMN-UHFFFAOYSA-N |
| Molecular Weight |
445.688 g/mol |
| SMILES |
CCCCCCCCCN(C(C1=C(C(OCC)=O)C=CC=C1)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920693 |
