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5MT-NB3I AC
SpectraBase Compound ID K85ANHo9KSr
InChI InChI=1S/C20H21IN2O2/c1-14(24)23(13-15-4-3-5-17(21)10-15)9-8-16-12-22-20-7-6-18(25-2)11-19(16)20/h3-7,10-12,22H,8-9,13H2,1-2H3
InChIKey VLCXNLWZRSQRIV-UHFFFAOYSA-N
Mol Weight 448.3 g/mol
Molecular Formula C20H21IN2O2
Exact Mass 448.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H67ViH8DbtB
Name 5MT-NB3I AC
Classification Designer drug
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Exact Mass 448.064772922 u
Formula C20H21N2O2I
InChI InChI=1S/C20H21IN2O2/c1-14(24)23(13-15-4-3-5-17(21)10-15)9-8-16-12-22-20-7-6-18(25-2)11-19(16)20/h3-7,10-12,22H,8-9,13H2,1-2H3
InChIKey VLCXNLWZRSQRIV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 448.304 g/mol
SMILES c1(ccc2[nH]cc(c2c1)CCN(C(=O)C)Cc1cc(ccc1)I)OC
SPLASH splash10-00di-1910000000-ae57b20896a1c6162e55
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_9918