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Methyl 3-aminobenzoate, N-ethoxycarbonyl-

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Methyl 3-aminobenzoate, N-ethoxycarbonyl-
SpectraBase Compound ID ElYrRfmlhL2
InChI InChI=1S/C11H13NO4/c1-3-16-11(14)12-9-6-4-5-8(7-9)10(13)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey OMMKHOWXJZEPHH-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 Cc8K5DmDYSK
Name Methyl 3-aminobenzoate, N-ethoxycarbonyl-
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/c1-3-16-11(14)12-9-6-4-5-8(7-9)10(13)15-2/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey OMMKHOWXJZEPHH-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C1=C(C=CC=C1C(=O)OC)NC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891753