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3,4-Dimethoxyphenethylamine, N-methoxycarbonyl-
SpectraBase Compound ID 2jE6AXvvgut
InChI InChI=1S/C12H17NO4/c1-15-10-5-4-9(8-11(10)16-2)6-7-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKey QWVUVTBOECVPCA-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8kfGfpvvzFA
Name 3,4-Dimethoxyphenethylamine, N-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.115758027 u
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-15-10-5-4-9(8-11(10)16-2)6-7-13-12(14)17-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKey QWVUVTBOECVPCA-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES C(OC)(=O)NCCC=1C=C(OC)C(OC)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977286