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5-Chloro-2-iodo-N-methyl-N-((1S,6S)-6-pyrrolidin-1-yl-cyclohex-2-enyl)-benzamide

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5-Chloro-2-iodo-N-methyl-N-((1S,6S)-6-pyrrolidin-1-yl-cyclohex-2-enyl)-benzamide
SpectraBase Compound ID LOeULLEY5OM
InChI InChI=1S/C18H22ClIN2O/c1-21(18(23)14-12-13(19)8-9-15(14)20)16-6-2-3-7-17(16)22-10-4-5-11-22/h2,6,8-9,12,16-17H,3-5,7,10-11H2,1H3/t16-,17-/m0/s1
InChIKey RBPOCRCCLSWMKL-IRXDYDNUSA-N
Mol Weight 444.74 g/mol
Molecular Formula C18H22ClIN2O
Exact Mass 444.046536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MFJsAmkOZP
Name 5-Chloro-2-iodo-N-methyl-N-((1S,6S)-6-pyrrolidin-1-yl-cyclohex-2-enyl)-benzamide
Alternate Name(s) 5-Chloro-2-iodo-N-methyl-N-[(1S,6S)-6-(1-pyrrolidinyl)-2-cyclohexen-1-yl]benzamide N-Methyl-N-3-[trans-2-(1-pyrrolidinyl)cyclohexenyl]-2-iodo-5-chlorobenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClIN2O
InChI InChI=1S/C18H22ClIN2O/c1-21(18(23)14-12-13(19)8-9-15(14)20)16-6-2-3-7-17(16)22-10-4-5-11-22/h2,6,8-9,12,16-17H,3-5,7,10-11H2,1H3/t16-,17-/m0/s1
InChIKey RBPOCRCCLSWMKL-IRXDYDNUSA-N
Molecular Weight 444.744 g/mol
SMILES C(c1c(ccc(c1)Cl)I)(N([C@@]1([C@@](N2CCCC2)(CCC=C1)[H])[H])C)=O
SPLASH splash10-0002-9200000000-6fa7f5cdb96e69b23d6c
Source of Spectrum H1-52-328-9
Wiley ID 817591