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

*Links on SpectraBase are not permalinks.

1-Methylethyl 4-nitrobenzeneacetate

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

1-Methylethyl 4-nitrobenzeneacetate
SpectraBase Compound ID FnKV1KRaMm9
InChI InChI=1S/C11H13NO4/c1-8(2)16-11(13)7-9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
InChIKey OSMVNJWMFJLJHY-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 6vyXNr9QDps
Name 1-Methylethyl 4-nitrobenzeneacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.084457899 u
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-8(2)16-11(13)7-9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
InChIKey OSMVNJWMFJLJHY-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C=1(N(=O)=O)C=CC(CC(=O)OC(C)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90112