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Tetrabenazine-M 2AC
SpectraBase Compound ID IRqFVaL7YHr
InChI InChI=1S/C21H27NO6/c1-12(11-27-13(2)23)6-16-10-22-5-4-15-7-21(28-14(3)24)20(26)8-17(15)18(22)9-19(16)25/h7-8,12,16,18,26H,4-6,9-11H2,1-3H3
InChIKey XUIPPUCJJRZDIE-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxG8gSlMVDl
Name Tetrabenazine-M 2AC
Classification Neuroleptic
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Exact Mass 389.183837587 u
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-12(11-27-13(2)23)6-16-10-22-5-4-15-7-21(28-14(3)24)20(26)8-17(15)18(22)9-19(16)25/h7-8,12,16,18,26H,4-6,9-11H2,1-3H3
InChIKey XUIPPUCJJRZDIE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 389.448 g/mol
SMILES C12N(CCc3cc(c(cc13)O)OC(=O)C)CC(C(C2)=O)CC(C)COC(C)=O
SPLASH splash10-0019-2696000000-721048ac9652df24296f
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Tetrabenazine-M (O-bis-demethyl-HO-) 2AC
Technique GC/MS
Wiley ID MMPW6e_398