| SpectraBase Spectrum ID |
9xwcvJSbwfX |
| Name |
Phthalic acid, monoamide, N,N-diheptyl, isobutyl 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/c1-5-7-9-11-15-19-27(20-16-12-10-8-6-2)25(28)23-17-13-14-18-24(23)26(29)30-21-22(3)4/h13-14,17-18,22H,5-12,15-16,19-21H2,1-4H3 |
| InChIKey |
BDJSHQDFNNVYDP-UHFFFAOYSA-N |
| Molecular Weight |
417.634 g/mol |
| SMILES |
C(N(CCCCCCC)CCCCCCC)(=O)C1=C(C=CC=C1)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871666 |
