| SpectraBase Spectrum ID |
G2aRMipbWcW |
| Name |
Isophthalic acid, monoamide, N,N-diheptyl-, isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.324294246 u |
| Formula |
C26H43NO3 |
| InChI |
InChI=1S/C26H43NO3/c1-5-7-9-11-13-18-27(19-14-12-10-8-6-2)25(28)23-16-15-17-24(20-23)26(29)30-21-22(3)4/h15-17,20,22H,5-14,18-19,21H2,1-4H3 |
| InChIKey |
QPFSHALLEYQUPX-UHFFFAOYSA-N |
| Molecular Weight |
417.634 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCC(C)C)=O |
