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Methadone intermediate-3
SpectraBase Compound ID 16kxW1Cz8Gc
InChI InChI=1S/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
InChIKey GJJQIGFCGLPOQK-UHFFFAOYSA-N
Mol Weight 278.4 g/mol
Molecular Formula C19H22N2
Exact Mass 278.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pK5dkP9ju
Name Methadone intermediate-3
Classification Potent analgesic
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Exact Mass 278.178298716 u
Formula C19H22N2
InChI InChI=1S/C19H22N2/c1-16(21(2)3)14-19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
InChIKey GJJQIGFCGLPOQK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.399 g/mol
SMILES c1ccc(cc1)C(C#N)(CC(N(C)C)C)c1ccccc1
SPLASH splash10-00di-9400000000-d4f2fef452c896252cd9
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2836