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Doxepin-M -(CH3)2NOH AC

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Doxepin-M -(CH3)2NOH AC
SpectraBase Compound ID 8z0HUnXSjDF
InChI InChI=1S/C19H16O3/c1-3-6-17-16-8-5-4-7-14(16)12-21-19-10-9-15(11-18(17)19)22-13(2)20/h3-11H,1,12H2,2H3/b17-6+
InChIKey DDSRJGFXEZWOAR-UBKPWBPPSA-N
Mol Weight 292.33 g/mol
Molecular Formula C19H16O3
Exact Mass 292.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5EUrdbD4xFb
Name Doxepin-m -(CH3)2noh ac P855
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.109944372 u
Formula C19H16O3
InChI InChI=1S/C19H16O3/c1-3-6-17-16-8-5-4-7-14(16)12-21-19-10-9-15(11-18(17)19)22-13(2)20/h3-11H,1,12H2,2H3/b17-6+
InChIKey DDSRJGFXEZWOAR-UBKPWBPPSA-N
SMILES C12=C(\C(=C\C=C)C3=CC=CC=C3CO1)C=C(C=C2)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831015