For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzeneethanol, .beta.-[2-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, acetate (ester), [S-(R*,R*)]-
SpectraBase Compound ID CeseOFLUSnk
InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
InChIKey XBMIVRRWGCYBTQ-UHFFFAOYSA-N
Mol Weight 353.51 g/mol
Molecular Formula C23H31NO2
Exact Mass 353.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ChxUWcF7SgH
Name Acetylmethadol @
CAS Registry Number 509-74-0
Classification Potent analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 353.235479240 u
Formula C23H31NO2
InChI InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3
InChIKey XBMIVRRWGCYBTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.506 g/mol
SMILES C(C(OC(=O)C)CC)(CC(N(C)C)C)(c1ccccc1)c1ccccc1
SPLASH splash10-00di-9100000000-fd936b92e45101f6ab49
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.
Sample Preparation Procedure Detected: G P U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms LAAM Levacetylmethadol Methadol AC
Technique GC/MS
Wiley ID MMPW6e_5616