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Milnacipran AC

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

Milnacipran AC
SpectraBase Compound ID FePwFv5CE7d
InChI InChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(14-9-7-6-8-10-14)11-15(17)12-18-13(3)20/h6-10,15H,4-5,11-12H2,1-3H3,(H,18,20)
InChIKey MAVOTMZDFYXNAJ-UHFFFAOYSA-N
Mol Weight 288.39 g/mol
Molecular Formula C17H24N2O2
Exact Mass 288.183778 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DqH01cD9pPH
Name Milnacipran, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.183778019 u
Formula C17H24N2O2
InChI InChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(14-9-7-6-8-10-14)11-15(17)12-18-13(3)20/h6-10,15H,4-5,11-12H2,1-3H3,(H,18,20)
InChIKey MAVOTMZDFYXNAJ-UHFFFAOYSA-N
SMILES CCN(CC)C(=O)C1(CC1CNC(C)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959327