| SpectraBase Spectrum ID |
HJ2ph1XOsGf |
| Name |
Isonipecotic acid, N-(4-nitrobenzoyl)-, pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.168521876 u |
| Formula |
C18H24N2O5 |
| InChI |
InChI=1S/C18H24N2O5/c1-2-3-4-13-25-18(22)15-9-11-19(12-10-15)17(21)14-5-7-16(8-6-14)20(23)24/h5-8,15H,2-4,9-13H2,1H3 |
| InChIKey |
ZKBANJRFEMMCAB-UHFFFAOYSA-N |
| Molecular Weight |
348.399 g/mol |
| SMILES |
C(N1CCC(C(OCCCCC)=O)CC1)(=O)C1=CC=C(C=C1)N(=O)=O |
