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N-methyl-N-acetyl-3,4-methylenedioxybenzylamine

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

N-methyl-N-acetyl-3,4-methylenedioxybenzylamine
SpectraBase Compound ID GPMpdS7C48x
InChI InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3
InChIKey JIWDGIYBLGMPRV-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9g4oQprESz7
Name N-Methyl-N-acetyl-3,4-methylenedioxybenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.089543280 u
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3
InChIKey JIWDGIYBLGMPRV-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES C(N(C(=O)C)C)C1=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976681