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25I-NB4OMe ME
SpectraBase Compound ID 1nr9JwR1Jfg
InChI InChI=1S/C19H24INO3/c1-21(13-14-5-7-16(22-2)8-6-14)10-9-15-11-19(24-4)17(20)12-18(15)23-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey MMWWKBQDYZDUCW-UHFFFAOYSA-N
Mol Weight 441.31 g/mol
Molecular Formula C19H24INO3
Exact Mass 441.080089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gYlGlBa8Mp
Name 25I-NB4OMe ME
Classification Designer drug
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Exact Mass 441.080088634 u
Formula C19H24NO3I
InChI InChI=1S/C19H24INO3/c1-21(13-14-5-7-16(22-2)8-6-14)10-9-15-11-19(24-4)17(20)12-18(15)23-3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey MMWWKBQDYZDUCW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 441.309 g/mol
SMILES c1c(OC)c(CCN(Cc2ccc(cc2)OC)C)cc(OC)c1I
SPLASH splash10-00di-2900000000-a161e038d86c141360cb
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_9755