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3-Benzylamino-2-methoxymethyl-2-buten-4-olide

View entire compound with spectra: 1 FTIR

3-Benzylamino-2-methoxymethyl-2-buten-4-olide
SpectraBase Compound ID GRAlQylUaU0
InChI InChI=1S/C13H15NO3/c1-16-8-11-12(9-17-13(11)15)14-7-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKey ZGIPNWNTIQGITH-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ZfWr7BEDSf
Name 3-Benzylamino-2-methoxymethyl-2-buten-4-olide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-16-8-11-12(9-17-13(11)15)14-7-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3
InChIKey ZGIPNWNTIQGITH-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1(C(=C(NCC2=CC=CC=C2)CO1)COC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97536