| SpectraBase Spectrum ID |
5nPsg8rVfLO |
| Name |
Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.261693988 u |
| Formula |
C22H35NO3 |
| InChI |
InChI=1S/C22H35NO3/c1-16(2)9-8-12-26-22(25)20-11-7-10-19(13-20)21(24)23(14-17(3)4)15-18(5)6/h7,10-11,13,16-18H,8-9,12,14-15H2,1-6H3 |
| InChIKey |
INOODSYHEDROCB-UHFFFAOYSA-N |
| Molecular Weight |
361.526 g/mol |
| SMILES |
C(N(C(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O)CC(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852794 |
