| SpectraBase Spectrum ID |
FGG4WxHkqhG |
| Name |
Phthalic acid, monoamide, N,N-dioctyl, isobutyl 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/c1-5-7-9-11-13-17-21-29(22-18-14-12-10-8-6-2)27(30)25-19-15-16-20-26(25)28(31)32-23-24(3)4/h15-16,19-20,24H,5-14,17-18,21-23H2,1-4H3 |
| InChIKey |
QUDCHWYLJYHBNT-UHFFFAOYSA-N |
| Molecular Weight |
445.688 g/mol |
| SMILES |
CC(C)COC(C1=C(C(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866931 |
