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6-Bromomethyl-1-(4-chlorophenyl)-3,3b-dimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one
SpectraBase Compound ID DgeGlNktwkv
InChI InChI=1S/C17H17BrClN3O/c1-10-14-15(22(20-10)12-5-3-11(19)4-6-12)16(23)21-13(9-18)7-8-17(14,21)2/h3-6,13H,7-9H2,1-2H3/t13-,17-/m1/s1
InChIKey XEUNAIZHBIRHPX-CXAGYDPISA-N
Mol Weight 394.7 g/mol
Molecular Formula C17H17BrClN3O
Exact Mass 393.024353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S4jFflLTk
Name 6-Bromomethyl-1-(4-chlorophenyl)-3,3b-dimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one
Alternate Name(s) (3bR,6R)-6-Bromomethyl-1-(4-chlorophenyl)-3,3b-dimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one 6-(bromomethyl)-1-(4-chlorophenyl)-3,3b-dimethyl-3b,4,5,6-tetrahydropyrrolo[2',1':5,1]pyrrolo[3,4-c]pyrazol-8(1H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrClN3O
InChI InChI=1S/C17H17BrClN3O/c1-10-14-15(22(20-10)12-5-3-11(19)4-6-12)16(23)21-13(9-18)7-8-17(14,21)2/h3-6,13H,7-9H2,1-2H3/t13-,17-/m1/s1
InChIKey XEUNAIZHBIRHPX-CXAGYDPISA-N
Molecular Weight 394.700 g/mol
SMILES c12c([C@]3(CC[C@@](N3C2=O)(CBr)[H])C)c(C)n[n]1-c1ccc(cc1)Cl
SPLASH splash10-0f6w-0009000000-88ade6c6cebcce012934
Source of Spectrum KC-0-159-15
Wiley ID 787164