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Ethyl 3,5-dimethyl-4-nitrobenzoate

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Ethyl 3,5-dimethyl-4-nitrobenzoate
SpectraBase Compound ID 8t997w4PLzF
InChI InChI=1S/C11H13NO4/c1-4-16-11(13)9-5-7(2)10(12(14)15)8(3)6-9/h5-6H,4H2,1-3H3
InChIKey LXHYBLDIIOAWLA-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

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SpectraBase Spectrum ID 8JrWjfgYzgY
Name Ethyl 3,5-dimethyl-4-nitrobenzoate
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/c1-4-16-11(13)9-5-7(2)10(12(14)15)8(3)6-9/h5-6H,4H2,1-3H3
InChIKey LXHYBLDIIOAWLA-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C(C1=CC(=C(C(=C1)C)N(=O)=O)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949548