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

*Links on SpectraBase are not permalinks.

2-(4-Methoxyphenyl)-3-nitro-2H-1-benzopyran

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(4-Methoxyphenyl)-3-nitro-2H-1-benzopyran
SpectraBase Compound ID 97KllAIXQlz
InChI InChI=1S/C16H13NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-10,16H,1H3
InChIKey VWHLPNCPVHZLQX-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 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 4Er4wKywgdW
Name 2-(4-Methoxyphenyl)-3-nitro-2H-1-benzopyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.084457899 u
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-10,16H,1H3
InChIKey VWHLPNCPVHZLQX-UHFFFAOYSA-N
SMILES C=1(N(=O)=O)C(OC2=C(C1)C=CC=C2)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90596