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Milnacipran 2AC

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

Milnacipran 2AC
SpectraBase Compound ID 2QnTtx4lMeB
InChI InChI=1S/C19H26N2O3/c1-5-20(6-2)18(24)19(16-10-8-7-9-11-16)12-17(19)13-21(14(3)22)15(4)23/h7-11,17H,5-6,12-13H2,1-4H3
InChIKey ZGYYIYSEXRVWOY-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C19H26N2O3
Exact Mass 330.194343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IfunF6u3if6
Name Milnacipran 2ac P1095
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.194342702 u
Formula C19H26N2O3
InChI InChI=1S/C19H26N2O3/c1-5-20(6-2)18(24)19(16-10-8-7-9-11-16)12-17(19)13-21(14(3)22)15(4)23/h7-11,17H,5-6,12-13H2,1-4H3
InChIKey ZGYYIYSEXRVWOY-UHFFFAOYSA-N
Molecular Weight 330.428 g/mol
SMILES C1(=CC=CC=C1)C1(C(C1)CN(C(C)=O)C(=O)C)C(=O)N(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929445