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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 JIhZI6IJu1Q
Name Methadone
CAS Registry Number 76-99-3
Classification Pharmaceutical drug, narcotic analgesic
Comments Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.12 (c) (15)
DEA Controlled Substance Name Methadone
DEA Controlled Substance Type Isomers, esters, ethers, salts, and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9250
DEA Schedule Schedule II
DEA Section Opiates. Unless specifically excepted or unless in another schedule any of the following opiates, including its isomers, esters, ethers, salts and salts of isomers, esters and ethers whenever the existence of such isomers, esters, ethers, and salts is possible within the specific chemical designation, dextrorphan and levopropoxyphene excepted
Exact Mass 309.209264492 u
Formula C21H27NO
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
Ionization Type Electron Ionization (EI)
Molecular Weight 309.453 g/mol
Nominal Mass 309 u
Quality 996
Retention Index 2148
SMILES C(C=1C=CC=CC1)(C=1C=CC=CC1)(C(CC)=O)CC(N(C)C)C
SPLASH splash10-00di-9200000000-20d0673dbed1c2c8690f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 6-dimethylamino-4,4-diphenyl-heptan-3-one
Technique GC/MS
Wiley ID DD2024_032320