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Methadone-m/A ac

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

Methadone-m/A ac
SpectraBase Compound ID E6F2Iv4oFaJ
InChI InChI=1S/C21H21NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h4-14,22H,1-3H3/b20-4-
InChIKey ATCHWLGCYAKIHK-YQLNASGTSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JEq3TAXEhOb
Name Methadone-m/A ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.157228918 u
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h4-14,22H,1-3H3/b20-4-
InChIKey ATCHWLGCYAKIHK-YQLNASGTSA-N
Molecular Weight 319.404 g/mol
SMILES C1(\C(NC(=C1)C)=C\C)(C=1C=CC(=CC1)OC(=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905008