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25I-Nbome 4-methoxy isomer

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

25I-Nbome 4-methoxy isomer
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 BgELU82kxBn
Name 25I-NBOMe 4-methoxy isomer
Catalog Number 14785
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO3
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
Molecular Weight 427.282 g/mol
SMILES N(CCc1cc(c(cc1OC)I)OC)Cc1ccc(cc1)OC
SPLASH splash10-00di-2910000000-228dd65cd320d1fb36b2
Source of Spectrum CAY-2023-1601-0
Wiley ID 1889538