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Carbamic acid, N-(3,4-methylenedioxybenzyl)-, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Carbamic acid, N-(3,4-methylenedioxybenzyl)-, ethyl ester
SpectraBase Compound ID 2ovBtlGKCYu
InChI InChI=1S/C11H13NO4/c1-2-14-11(13)12-6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,2,6-7H2,1H3,(H,12,13)
InChIKey ILXSYTDOCLJIAA-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 39JrhqapWD4
Name Carbamic acid, N-(3,4-methylenedioxybenzyl)-, ethyl ester
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/c1-2-14-11(13)12-6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,2,6-7H2,1H3,(H,12,13)
InChIKey ILXSYTDOCLJIAA-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C(NCC=1C=C2OCOC2=CC1)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927392