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Benzenethanamine, 3,4-methylenedioxy-N-ethoxycarbonyl-

View entire compound with spectra: 1 FTIR

Benzenethanamine, 3,4-methylenedioxy-N-ethoxycarbonyl-
SpectraBase Compound ID 7FST5LNdCNm
InChI InChI=1S/C12H15NO5/c1-2-16-12(15)13-6-9(14)8-3-4-10-11(5-8)18-7-17-10/h3-5,9,14H,2,6-7H2,1H3,(H,13,15)
InChIKey TXSNJHPXQZOJJF-UHFFFAOYSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 85jL7JhpQyz
Name Benzenethanamine, 3,4-methylenedioxy-N-ethoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.095022582 u
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-2-16-12(15)13-6-9(14)8-3-4-10-11(5-8)18-7-17-10/h3-5,9,14H,2,6-7H2,1H3,(H,13,15)
InChIKey TXSNJHPXQZOJJF-UHFFFAOYSA-N
Molecular Weight 253.254 g/mol
SMILES C1=C(C=C2C(=C1)OCO2)C(CNC(=O)OCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877041