| SpectraBase Spectrum ID |
23FRaqkco7S |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.371244439 u |
| Formula |
C29H49NO3 |
| InChI |
InChI=1S/C29H49NO3/c1-4-7-10-13-16-22-30(23-17-14-11-8-5-2)28(31)26-20-19-21-27(25-26)29(32)33-24-18-15-12-9-6-3/h19-21,25H,4-18,22-24H2,1-3H3 |
| InChIKey |
OPIDBDJHDLVIFW-UHFFFAOYSA-N |
| Molecular Weight |
459.715 g/mol |
| SMILES |
C1=CC=C(C=C1C(OCCCCCCC)=O)C(N(CCCCCCC)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914147 |
