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Methyl 2-formylamido-4,5-methylenedioxybenzoate

View entire compound with spectra: 1 FTIR

Methyl 2-formylamido-4,5-methylenedioxybenzoate
SpectraBase Compound ID KmrtlCBgmVr
InChI InChI=1S/C10H9NO5/c1-14-10(13)6-2-8-9(16-5-15-8)3-7(6)11-4-12/h2-4H,5H2,1H3,(H,11,12)
InChIKey XTDZVHRFXWVODA-UHFFFAOYSA-N
Mol Weight 223.18 g/mol
Molecular Formula C10H9NO5
Exact Mass 223.048072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HsMkuVILIdO
Name Methyl 2-formylamido-4,5-methylenedioxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.048072389 u
Formula C10H9NO5
InChI InChI=1S/C10H9NO5/c1-14-10(13)6-2-8-9(16-5-15-8)3-7(6)11-4-12/h2-4H,5H2,1H3,(H,11,12)
InChIKey XTDZVHRFXWVODA-UHFFFAOYSA-N
Molecular Weight 223.184 g/mol
SMILES COC(=O)C1=C(C=C2OCOC2=C1)NC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824963