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{c-3-[4'-(4''-(Hydroxymethyl)phenyl)-1'H-1',2',3'-triazol-1'-yl]-t-4-iodo-r-1-cyclopentyl}-methanol
SpectraBase Compound ID L5U3E53QwhO
InChI InChI=1S/C15H18IN3O2/c16-13-5-11(9-21)6-15(13)19-7-14(17-18-19)12-3-1-10(8-20)2-4-12/h1-4,7,11,13,15,20-21H,5-6,8-9H2/t11-,13-,15-/m0/s1
InChIKey NGCPOFITZRXKQA-WHOFXGATSA-N
Mol Weight 399.23 g/mol
Molecular Formula C15H18IN3O2
Exact Mass 399.044372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fpt16kfgwy
Name {c-3-[4'-(4''-(Hydroxymethyl)phenyl)-1'H-1',2',3'-triazol-1'-yl]-t-4-iodo-r-1-cyclopentyl}-methanol
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Formula C15H18IN3O2
InChI InChI=1S/C15H18IN3O2/c16-13-5-11(9-21)6-15(13)19-7-14(17-18-19)12-3-1-10(8-20)2-4-12/h1-4,7,11,13,15,20-21H,5-6,8-9H2/t11-,13-,15-/m0/s1
InChIKey NGCPOFITZRXKQA-WHOFXGATSA-N
Molecular Weight 399.232 g/mol
SMILES OCc1ccc(-c2nn[n]([C@]3(C[C@@](CO)(C[C@@]3(I)[H])[H])[H])c2)cc1
SPLASH splash10-002b-8900000000-a0cab4a8c49c74b71b33
Source of Spectrum F5-5-3810-27a
Synonyms {c-3-[4'-(4''-(Hydroxymethyl)phenyl)-1H-1',2',3'-triazol-1'-yl]-t-4-iodo-r-1-cyclopentyl}-methanol (4-(1-((1S,2S,4R)-4-(hydroxymethyl)-2-iodocyclopentyl)-1H-1,2,3-triazol-4-yl)phenyl)methanol
Wiley ID 1733315