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(+)-(SS,1S,3R,4S,5R)-3-(N-Methyl-S-phenylsulfonimidoylmethyl)-1,4-dimethylbicyclo[3.2.0]heptan-3-ol

View entire compound with spectra: 1 MS (GC)

(+)-(SS,1S,3R,4S,5R)-3-(N-Methyl-S-phenylsulfonimidoylmethyl)-1,4-dimethylbicyclo[3.2.0]heptan-3-ol
SpectraBase Compound ID ERNTDDkbF1q
InChI InChI=1S/C17H25NO2S/c1-13-15-9-10-16(15,2)11-17(13,19)12-21(20,18-3)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3/t13-,15+,16-,17-,21-/m0/s1
InChIKey DTTNKIYCERPNMS-UXARHXMWSA-N
Mol Weight 307.45 g/mol
Molecular Formula C17H25NO2S
Exact Mass 307.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVV4PCWcDIZ
Name (+)-(SS,1S,3R,4S,5R)-3-(N-Methyl-S-phenylsulfonimidoylmethyl)-1,4-dimethylbicyclo[3.2.0]heptan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S/c1-13-15-9-10-16(15,2)11-17(13,19)12-21(20,18-3)14-7-5-4-6-8-14/h4-8,13,15,19H,9-12H2,1-3H3/t13-,15+,16-,17-,21-/m0/s1
InChIKey DTTNKIYCERPNMS-UXARHXMWSA-N
Molecular Weight 307.452 g/mol
SMILES O[C@@]1(C[S@](=NC)(=O)c2ccccc2)[C@]([C@]2(CC[C@]2(C1)C)[H])(C)[H]
SPLASH splash10-0a6r-0910000000-16b8b5a7168c5f744790
Source of Spectrum F-65-1046-31
Synonyms (1R,2S,3R,5S)-2,5-dimethyl-3-[(N-methyl-S-phenylsulfonimidoyl)methyl]-3-bicyclo[3.2.0]heptanol (1R,2S,3R,5S)-2,5-dimethyl-3-[(N-methyl-S-phenylsulfonimidoyl)methyl]bicyclo[3.2.0]heptan-3-ol
Wiley ID 1681897