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(4aS,8aS,10aR)-6,7-methyl-1-[(4-methylphenyl)sulfonyl]-2,3,5,8,8a,9,10,10a-octahydroindeno[1,7a-b]pyridin-4(1H)-one
SpectraBase Compound ID DvN5Eb1V5xf
InChI InChI=1S/C21H27NO3S/c1-14-4-7-18(8-5-14)26(24,25)22-11-10-20(23)21-13-16(3)15(2)12-17(21)6-9-19(21)22/h4-5,7-8,17,19H,6,9-13H2,1-3H3/t17-,19+,21-/m0/s1
InChIKey PMVYIYRODGCSKO-DSKINZAPSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nRHQ97UbAG
Name (4aS,8aS,10aR)-6,7-methyl-1-[(4-methylphenyl)sulfonyl]-2,3,5,8,8a,9,10,10a-octahydroindeno[1,7a-b]pyridin-4(1H)-one
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Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-14-4-7-18(8-5-14)26(24,25)22-11-10-20(23)21-13-16(3)15(2)12-17(21)6-9-19(21)22/h4-5,7-8,17,19H,6,9-13H2,1-3H3/t17-,19+,21-/m0/s1
InChIKey PMVYIYRODGCSKO-DSKINZAPSA-N
Molecular Weight 373.511 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)CCC([C@@]11[C@](CC(=C(C1)C)C)(CC2)[H])=O)[H]
SPLASH splash10-014l-9840000000-a125b2c67e7277c56998
Source of Spectrum F5-6-3131-25
Synonyms 6,7-Dimethyl-1-tosyl-1,2,3,4,5,8,8a,9,10,10a-decahydroindeno[1,7a-b]pyridin-4-one (4aR,6aS,10aS)-8,9-dimethyl-4-tosyl-2,3,4,4a,5,6,6a,7-octahydroindeno[1,7a-b]pyridin-1(10H)-one
Wiley ID 1733570