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Methadone-m (nor-eddp) ac

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

Methadone-m (nor-eddp) ac
SpectraBase Compound ID 3RMen4fm0wL
InChI InChI=1S/C21H23NO/c1-4-20-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)15-16(2)22(20)17(3)23/h4-14,16H,15H2,1-3H3/b20-4-
InChIKey WYHABPIPZNLFTL-YQLNASGTSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GdfOUMnf7mC
Name Methadone-m (nor-eddp) ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.177964364 u
Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-4-20-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)15-16(2)22(20)17(3)23/h4-14,16H,15H2,1-3H3/b20-4-
InChIKey WYHABPIPZNLFTL-YQLNASGTSA-N
Molecular Weight 305.421 g/mol
SMILES C1(\C(N(C(C1)C)C(=O)C)=C\C)(C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920814