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5MT-NB3I TMS
SpectraBase Compound ID 45zn92glFJA
InChI InChI=1S/C21H27IN2OSi/c1-25-19-8-9-21-20(13-19)17(14-23-21)10-11-24(26(2,3)4)15-16-6-5-7-18(22)12-16/h5-9,12-14,23H,10-11,15H2,1-4H3
InChIKey JIFYOVBHIQULMS-UHFFFAOYSA-N
Mol Weight 478.45 g/mol
Molecular Formula C21H27IN2OSi
Exact Mass 478.093735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TcYErMH5c
Name 5MT-NB3I TMS
Classification Designer drug
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Exact Mass 478.093735031 u
Formula C21H27N2OISi
InChI InChI=1S/C21H27IN2OSi/c1-25-19-8-9-21-20(13-19)17(14-23-21)10-11-24(26(2,3)4)15-16-6-5-7-18(22)12-16/h5-9,12-14,23H,10-11,15H2,1-4H3
InChIKey JIFYOVBHIQULMS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 478.449 g/mol
SMILES c1(ccc2[nH]cc(c2c1)CCN([Si](C)(C)C)Cc1cc(ccc1)I)OC
SPLASH splash10-001i-2191000000-8676e7a331ab27c22af7
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_9919