| SpectraBase Spectrum ID |
8iHaYx0i0bG |
| Name |
Isonipecotic acid, N-(4-nitrobenzoyl)-, isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.184171940 u |
| Formula |
C19H26N2O5 |
| InChI |
InChI=1S/C19H26N2O5/c1-14(2)4-3-13-26-19(23)16-9-11-20(12-10-16)18(22)15-5-7-17(8-6-15)21(24)25/h5-8,14,16H,3-4,9-13H2,1-2H3 |
| InChIKey |
VQXTTXGLQONOPV-UHFFFAOYSA-N |
| Molecular Weight |
362.426 g/mol |
| SMILES |
CC(C)CCCOC(C1CCN(C(=O)C2=CC=C(C=C2)N(=O)=O)CC1)=O |
