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25I-NB4OMe TMS
SpectraBase Compound ID 9sNrXojfh1c
InChI InChI=1S/C21H30INO3Si/c1-24-18-9-7-16(8-10-18)15-23(27(4,5)6)12-11-17-13-21(26-3)19(22)14-20(17)25-2/h7-10,13-14H,11-12,15H2,1-6H3
InChIKey UJJLDTTWKMRUPA-UHFFFAOYSA-N
Mol Weight 499.46 g/mol
Molecular Formula C21H30INO3Si
Exact Mass 499.103965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2C3AeHGbws
Name 25I-NB4OMe TMS
Classification Designer drug
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Exact Mass 499.103965362 u
Formula C21H30NO3ISi
InChI InChI=1S/C21H30INO3Si/c1-24-18-9-7-16(8-10-18)15-23(27(4,5)6)12-11-17-13-21(26-3)19(22)14-20(17)25-2/h7-10,13-14H,11-12,15H2,1-6H3
InChIKey UJJLDTTWKMRUPA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 499.464 g/mol
SMILES c1c(I)c(cc(c1OC)CCN(Cc1ccc(cc1)OC)[Si](C)(C)C)OC
SPLASH splash10-00di-4970000000-668001eccd750ac1632f
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_9764