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Trimipramine-m (bisnor,2oh) 3ac

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

Trimipramine-m (bisnor,2oh) 3ac
SpectraBase Compound ID 550Bi9ipx7W
InChI InChI=1S/C24H28N2O5/c1-15(13-25-16(2)27)14-26-21-11-7-5-9-19(21)23(30-17(3)28)24(31-18(4)29)20-10-6-8-12-22(20)26/h5-12,15,23-24H,13-14H2,1-4H3,(H,25,27)
InChIKey QUJYHEQCSPSRED-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C24H28N2O5
Exact Mass 424.199822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E0d3NrtUKE3
Name Trimipramine-m (bisnor,2oh) 3ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.199822005 u
Formula C24H28N2O5
InChI InChI=1S/C24H28N2O5/c1-15(13-25-16(2)27)14-26-21-11-7-5-9-19(21)23(30-17(3)28)24(31-18(4)29)20-10-6-8-12-22(20)26/h5-12,15,23-24H,13-14H2,1-4H3,(H,25,27)
InChIKey QUJYHEQCSPSRED-UHFFFAOYSA-N
Molecular Weight 424.497 g/mol
SMILES C1=2N(C=3C(C(C(C2C=CC=C1)OC(=O)C)OC(=O)C)=CC=CC3)CC(CNC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82695