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1-(4-Chlorophenyl)-3,3b,6-trimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one
SpectraBase Compound ID FI7In3o9trB
InChI InChI=1S/C17H18ClN3O/c1-10-8-9-17(3)14-11(2)19-21(15(14)16(22)20(10)17)13-6-4-12(18)5-7-13/h4-7,10H,8-9H2,1-3H3/t10-,17+/m0/s1
InChIKey NZNYACJLTYFHBD-DYZYQPBXSA-N
Mol Weight 315.8 g/mol
Molecular Formula C17H18ClN3O
Exact Mass 315.11384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G01YXkAG3gN
Name 1-(4-Chlorophenyl)-3,3b,6-trimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one
Alternate Name(s) (3bR,6S)-1-(4-Chlorophenyl)-3,3b,6-trimethyl-3b,4,5,6-tetrahydro-1H-pyrazolo[4,3-a]pyrrolizin-8-one 1-(4-chlorophenyl)-3,3b,6-trimethyl-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 C17H18ClN3O
InChI InChI=1S/C17H18ClN3O/c1-10-8-9-17(3)14-11(2)19-21(15(14)16(22)20(10)17)13-6-4-12(18)5-7-13/h4-7,10H,8-9H2,1-3H3/t10-,17+/m0/s1
InChIKey NZNYACJLTYFHBD-DYZYQPBXSA-N
Molecular Weight 315.804 g/mol
SMILES c12c([C@]3(CC[C@@](N3C2=O)(C)[H])C)c(C)n[n]1-c1ccc(cc1)Cl
SPLASH splash10-0uxr-0009000000-8371f28a1f01e18f8bd3
Source of Spectrum KC-0-159-16
Wiley ID 787163