| SpectraBase Spectrum ID |
9z8Hzg7F9hm |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.402544568 u |
| Formula |
C31H53NO3 |
| InChI |
InChI=1S/C31H53NO3/c1-4-7-10-13-14-17-20-26-35-31(34)29-23-21-22-28(27-29)30(33)32(24-18-15-11-8-5-2)25-19-16-12-9-6-3/h21-23,27H,4-20,24-26H2,1-3H3 |
| InChIKey |
BSODHWJZYYQAPX-UHFFFAOYSA-N |
| Molecular Weight |
487.769 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955449 |
