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Methadone
SpectraBase Compound ID Fx2I9coET4K
InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwlu3P6jXXf
Name 6-dimethylamino-4,4-diphenyl-3-heptanone
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
GC Column Fused-silica (25 m x 0.25 mm)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Instrument Name HP 6890-Plus-Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200700067
Molecular Weight 309.453 g/mol
Quality 40
SMILES C(CC(N(C)C)C)(C(CC)=O)(C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-00di-9200000000-d6735385cb3799906b06
Source of Spectrum SEP-30-2502-Methadone (DOI: 10.1002/jssc.200700067)
Wiley ID 1909600