| SpectraBase Spectrum ID |
DUk36T8eTdD |
| Name |
Isophthalic acid, monoamide, N,N-diisobutyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.199093730 u |
| Formula |
C18H27NO3 |
| InChI |
InChI=1S/C18H27NO3/c1-6-22-18(21)16-9-7-8-15(10-16)17(20)19(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3 |
| InChIKey |
WJUFSUUEQIXODL-UHFFFAOYSA-N |
| Molecular Weight |
305.418 g/mol |
| SMILES |
CC(C)CN(C(C1=CC(=CC=C1)C(OCC)=O)=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94756 |
