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(3S,3aR,7aR)-N-Phenylsulfonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole

View entire compound with spectra: 1 MS (GC)

(3S,3aR,7aR)-N-Phenylsulfonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
SpectraBase Compound ID LVhXa10dF4D
InChI InChI=1S/C22H25NO2S/c1-22(16-18-10-4-2-5-11-18)17-23(21-15-9-8-14-20(21)22)26(24,25)19-12-6-3-7-13-19/h2-8,10-14,20-21H,9,15-17H2,1H3/t20-,21+,22+/m0/s1
InChIKey WYSYQXJPZVWVNX-BHDDXSALSA-N
Mol Weight 367.51 g/mol
Molecular Formula C22H25NO2S
Exact Mass 367.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d6nZjyNea
Name (3S,3aR,7aR)-N-Phenylsulfonyl-3-benzyl-3-methyl-2,3,3a,6,7,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2S
InChI InChI=1S/C22H25NO2S/c1-22(16-18-10-4-2-5-11-18)17-23(21-15-9-8-14-20(21)22)26(24,25)19-12-6-3-7-13-19/h2-8,10-14,20-21H,9,15-17H2,1H3/t20-,21+,22+/m0/s1
InChIKey WYSYQXJPZVWVNX-BHDDXSALSA-N
Molecular Weight 367.507 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)[C@]2([C@@]([C@@]1(Cc1ccccc1)C)(C=CCC2)[H])[H]
SPLASH splash10-004i-9285000000-9dbbe3e42403fec9146d
Source of Spectrum F-53-11825-51
Synonyms (3S,3aR,7aR)-3-benzyl-3-methyl-1-(phenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-1H-indole N-Phenylsulfonyl-3-benzyl-3-methyl-2,3,3a,5,7,7a-hexahydroindole
Wiley ID 803362