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25I-NB3OMe
SpectraBase Compound ID FZmJ1LG1ZGz
InChI InChI=1S/C18H22INO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
InChIKey CJTZKPLDKCBUAF-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 8imUffJeetM
Name 25I-NBOMe 3-methoxy isomer
Catalog Number 14784
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22INO3
InChI InChI=1S/C18H22INO3/c1-21-15-6-4-5-13(9-15)12-20-8-7-14-10-18(23-3)16(19)11-17(14)22-2/h4-6,9-11,20H,7-8,12H2,1-3H3
InChIKey CJTZKPLDKCBUAF-UHFFFAOYSA-N
Molecular Weight 427.282 g/mol
SMILES N(CCc1cc(c(cc1OC)I)OC)Cc1cc(ccc1)OC
SPLASH splash10-0fk9-2910000000-4b885cb0038ee8370ea4
Source of Spectrum CAY-2023-1602-0
Wiley ID 1889539