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Milnacipran artifact (lactam) AC

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

Milnacipran artifact (lactam) AC
SpectraBase Compound ID BVuZOu2Kkoh
InChI InChI=1S/C13H13NO2/c1-9(15)14-8-11-7-13(11,12(14)16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey JIMLQSVAZZQCDN-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K6Jh9YnhhBc
Name Milnacipran artifact (lactam) ac P449
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.094628661 u
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-9(15)14-8-11-7-13(11,12(14)16)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey JIMLQSVAZZQCDN-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES C12(C=3C=CC=CC3)C(C1)CN(C2=O)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92362