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syn-(3R,4R)-3-Methyl-4-phenylsulfanyl-1-tolyl-1-azaspiro[4.4]nonane
SpectraBase Compound ID FXIdkiLEZ3Z
InChI InChI=1S/C22H27NO2S2/c1-17-10-12-20(13-11-17)27(24,25)23-16-18(2)21(22(23)14-6-7-15-22)26-19-8-4-3-5-9-19/h3-5,8-13,18,21H,6-7,14-16H2,1-2H3/t18-,21-/m1/s1
InChIKey QIIMPQCJSOSDRI-WIYYLYMNSA-N
Mol Weight 401.58 g/mol
Molecular Formula C22H27NO2S2
Exact Mass 401.148321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fcy3CMWuDdS
Name syn-(3R,4R)-3-Methyl-4-phenylsulfanyl-1-tolyl-1-azaspiro[4.4]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO2S2
InChI InChI=1S/C22H27NO2S2/c1-17-10-12-20(13-11-17)27(24,25)23-16-18(2)21(22(23)14-6-7-15-22)26-19-8-4-3-5-9-19/h3-5,8-13,18,21H,6-7,14-16H2,1-2H3/t18-,21-/m1/s1
InChIKey QIIMPQCJSOSDRI-WIYYLYMNSA-N
Molecular Weight 401.583 g/mol
SMILES c1(S(N2C3([C@](Sc4ccccc4)([C@@](C2)(C)[H])[H])CCCC3)(=O)=O)ccc(cc1)C
SPLASH splash10-03di-0920000000-cbc2569daede06c67740
Source of Spectrum KC-0-2417-31
Synonyms (3R,4R)-3-methyl-1-[(4-methylphenyl)sulfonyl]-1-azaspiro[4.4]non-4-yl phenyl sulfide (3R,4R)-3-methyl-1-[(4-methylphenyl)sulfonyl]-4-(phenylsulfanyl)-1-azaspiro[4.4]nonane
Wiley ID 784300