| SpectraBase Spectrum ID |
A77YIgvTCX7 |
| Name |
Isonipecotic acid, N-(4-nitrobenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.199822005 u |
| Formula |
C20H28N2O5 |
| InChI |
InChI=1S/C20H28N2O5/c1-2-3-4-5-6-15-27-20(24)17-11-13-21(14-12-17)19(23)16-7-9-18(10-8-16)22(25)26/h7-10,17H,2-6,11-15H2,1H3 |
| InChIKey |
JFILZDGJWQTVJE-UHFFFAOYSA-N |
| Molecular Weight |
376.453 g/mol |
| SMILES |
C(N1CCC(C(OCCCCCCC)=O)CC1)(=O)C1=CC=C(C=C1)N(=O)=O |
