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Acetic acid, (2-methyl-3-nitrophenyl)methyl ester

View entire compound with spectra: 1 FTIR

Acetic acid, (2-methyl-3-nitrophenyl)methyl ester
SpectraBase Compound ID 3LptL0koGWD
InChI InChI=1S/C10H11NO4/c1-7-9(6-15-8(2)12)4-3-5-10(7)11(13)14/h3-5H,6H2,1-2H3
InChIKey LNLRTUUUVJCCQG-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4epPWXue1kY
Name Acetic acid, (2-methyl-3-nitrophenyl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.068807834 u
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-7-9(6-15-8(2)12)4-3-5-10(7)11(13)14/h3-5H,6H2,1-2H3
InChIKey LNLRTUUUVJCCQG-UHFFFAOYSA-N
Molecular Weight 209.201 g/mol
SMILES C1=C(C(=C(C=C1)N(=O)=O)C)COC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903946