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25I-NB4OMe
SpectraBase Compound ID HS5k9mB72YO
InChI InChI=1S/C18H22INO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey NWOROGLTELSWAZ-UHFFFAOYSA-N
Mol Weight 427.28 g/mol
Molecular Formula C18H22INO3
Exact Mass 427.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K8d9kaKaiX
Name 25I-NB4OMe
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 427.064438569 u
Formula C18H22NO3I
InChI InChI=1S/C18H22INO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey NWOROGLTELSWAZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 427.282 g/mol
SMILES c1c(OC)c(CCNCc2ccc(cc2)OC)cc(OC)c1I
SPLASH splash10-00di-1911000000-0dafd45e8120394fd418
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_9754