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(+-)-(4aRS,5aRS,10aRS)-3-Benzyl-7-chloro-5a-methyl-1,2,4,4a,5,5a,10-octahydropyrido[4",3":2',3']cyclobuta[1',2':4,5]pyrrolo[2,3-b]pyridine

View entire compound with spectra: 1 MS (GC)

(+-)-(4aRS,5aRS,10aRS)-3-Benzyl-7-chloro-5a-methyl-1,2,4,4a,5,5a,10-octahydropyrido[4",3":2',3']cyclobuta[1',2':4,5]pyrrolo[2,3-b]pyridine
SpectraBase Compound ID 3oz5MMy4g69
InChI InChI=1S/C20H22ClN3/c1-19-10-15-13-24(12-14-5-3-2-4-6-14)8-7-20(15,19)23-18-17(19)9-16(21)11-22-18/h2-6,9,11,15H,7-8,10,12-13H2,1H3,(H,22,23)/t15-,19-,20-/m1/s1
InChIKey ODNPWUWNAUMHRH-CDHQVMDDSA-N
Mol Weight 339.87 g/mol
Molecular Formula C20H22ClN3
Exact Mass 339.150225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeSmRsnRl8e
Name (+-)-(4aRS,5aRS,10aRS)-3-Benzyl-7-chloro-5a-methyl-1,2,4,4a,5,5a,10-octahydropyrido[4",3":2',3']cyclobuta[1',2':4,5]pyrrolo[2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClN3
InChI InChI=1S/C20H22ClN3/c1-19-10-15-13-24(12-14-5-3-2-4-6-14)8-7-20(15,19)23-18-17(19)9-16(21)11-22-18/h2-6,9,11,15H,7-8,10,12-13H2,1H3,(H,22,23)/t15-,19-,20-/m1/s1
InChIKey ODNPWUWNAUMHRH-CDHQVMDDSA-N
Molecular Weight 339.870 g/mol
SMILES N1c2ncc(cc2[C@@]2([C@@]11[C@](C2)(CN(CC1)Cc1ccccc1)[H])C)Cl
SPLASH splash10-01ox-9701000000-757fa90fde0cd5937881
Source of Spectrum H1-48-1587-10
Synonyms (+-)-(4aRS,5aRS,10aRS)-3-Benzyl-7-chloro-5a-methyl-1,2,4,4a,5,5a,10-octahydropyrido[4'',3'':2',3']cyclobuta[1',2':4,5]pyrrolo[2,3-b]pyridine
Wiley ID 816557