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25I-NB3OMe TMS
SpectraBase Compound ID 6nj3efQAPHd
InChI InChI=1S/C21H30INO3Si/c1-24-18-9-7-8-16(12-18)15-23(27(4,5)6)11-10-17-13-21(26-3)19(22)14-20(17)25-2/h7-9,12-14H,10-11,15H2,1-6H3
InChIKey IZIXDAAUUCIEDY-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 3j6JFeRniC
Name 25I-NB3OMe TMS
Classification Designer drug
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Exact Mass 499.103965362 u
Formula C21H30NO3ISi
InChI InChI=1S/C21H30INO3Si/c1-24-18-9-7-8-16(12-18)15-23(27(4,5)6)11-10-17-13-21(26-3)19(22)14-20(17)25-2/h7-9,12-14H,10-11,15H2,1-6H3
InChIKey IZIXDAAUUCIEDY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 499.464 g/mol
SMILES c1c(I)c(cc(c1OC)CCN(Cc1cc(ccc1)OC)[Si](C)(C)C)OC
SPLASH splash10-00di-5690000000-e6defc255bf681a81529
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_9763