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Etonitazene
SpectraBase Compound ID KhWOsonhxIU
InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C22H28N4O3
Exact Mass 396.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YRgKY6jGxs
Name Etonitazene
CAS Registry Number 911-65-9
Classification Potent analgesic
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Exact Mass 396.216140775 u
Formula C22H28N4O3
InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
InChIKey PXDBZSCGSQSKST-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.491 g/mol
SMILES c1([n](c2ccc(N(=O)=O)cc2n1)CCN(CC)CC)Cc1ccc(OCC)cc1
SPLASH splash10-000i-9000000000-d18790b4601dadba839b
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_3655