| SpectraBase Spectrum ID |
IInfV9jN3pM |
| Name |
4-Nitrobenzoic acid, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.131408092 u |
| Formula |
C14H19NO4 |
| InChI |
InChI=1S/C14H19NO4/c1-2-3-4-5-6-11-19-14(16)12-7-9-13(10-8-12)15(17)18/h7-10H,2-6,11H2,1H3 |
| InChIKey |
WMUVYRILEXKYQK-UHFFFAOYSA-N |
| Molecular Weight |
265.309 g/mol |
| SMILES |
C1=CC(C(OCCCCCCC)=O)=CC=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91396 |
