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MBDB-D5
SpectraBase Compound ID KYz0FdhjCTO
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3/i2D3,6D,10D
InChIKey USWVWJSAJAEEHQ-OERPMWGVSA-N
Mol Weight 212.3 g/mol
Molecular Formula C12H12D5NO2
Exact Mass 212.157313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU2agwBnBkj
Name MBDB-D5
Classification Psychedelic Designer drug
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Exact Mass 212.157312519 u
Formula C12H12D5NO2
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3/i2D3,6D,10D
InChIKey USWVWJSAJAEEHQ-OERPMWGVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 212.304 g/mol
SMILES c1cc(C(C(CC)(NC([D])([D])[D])[D])[D])cc2c1OCO2
SPLASH splash10-004i-9100000000-aad3c06ce9434f164b89
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_8762