For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-Nitrobenzoic acid, decyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Nitrobenzoic acid, decyl ester
SpectraBase Compound ID BCSch9UVF59
InChI InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-9-14-22-17(19)15-10-12-16(13-11-15)18(20)21/h10-13H,2-9,14H2,1H3
InChIKey XRQVVCKJAIGRHJ-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Cks7AHA8qWN
Name 4-Nitrobenzoic acid, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-9-14-22-17(19)15-10-12-16(13-11-15)18(20)21/h10-13H,2-9,14H2,1H3
InChIKey XRQVVCKJAIGRHJ-UHFFFAOYSA-N
Molecular Weight 307.390 g/mol
SMILES C1=CC(C(OCCCCCCCCCC)=O)=CC=C1N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898093