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Doxepin-M (N-oxide) -(CH3)2NOH

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

Doxepin-M (N-oxide) -(CH3)2NOH
SpectraBase Compound ID mbRUn08CDg
InChI InChI=1S/C17H14O/c1-2-7-15-14-9-4-3-8-13(14)12-18-17-11-6-5-10-16(15)17/h2-11H,1,12H2/b15-7+
InChIKey SWIVOZVDIQEREL-VIZOYTHASA-N
Mol Weight 234.3 g/mol
Molecular Formula C17H14O
Exact Mass 234.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G4ckAgu52JY
Name Doxepin-m (N-oxide) -(CH3)2noh P527
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.104465070 u
Formula C17H14O
InChI InChI=1S/C17H14O/c1-2-7-15-14-9-4-3-8-13(14)12-18-17-11-6-5-10-16(15)17/h2-11H,1,12H2/b15-7+
InChIKey SWIVOZVDIQEREL-VIZOYTHASA-N
Molecular Weight 234.298 g/mol
SMILES C=12OCC3=CC=CC=C3\C(C1C=CC=C2)=C/C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940775