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Iodorphine
SpectraBase Compound ID BnviBbD2LJv
InChI InChI=1S/C20H22IN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)
InChIKey JSAXFVKTSYWRTR-UHFFFAOYSA-N
Mol Weight 447.32 g/mol
Molecular Formula C20H22IN3O
Exact Mass 447.080757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NFP2pqEUZR
Name Iodorphine
Catalog Number 37062
Lot Number 651766
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.080757339 u
Formula C20H22IN3O
InChI InChI=1S/C20H22IN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)
InChIKey JSAXFVKTSYWRTR-UHFFFAOYSA-N
Molecular Weight 447.320 g/mol
Purity >=98%
Quality 973
SMILES N1C2=C(N(C1=O)C1CCN(C(C)C3=CC=C(I)C=C3)CC1)C=CC=C2
SPLASH splash10-001i-9530000000-f17eeb01cd3d60d8ec6a
Source of Spectrum CAY-2024-2247-0
Synonyms 1-(1-(1-(4-iodophenyl)ethyl)piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one 1-{1-[1-(4-iodophenyl)ethyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Wiley ID 1890432