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(4aS,8aR)-1-keto-6-methyl-2-tosyl-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid benzyl ester
SpectraBase Compound ID Dh2XWUkHQo8
InChI InChI=1S/C25H27NO5S/c1-18-8-10-22(11-9-18)32(29,30)26-15-13-21-16-19(2)12-14-25(21,23(26)27)24(28)31-17-20-6-4-3-5-7-20/h3-12,21H,13-17H2,1-2H3/t21-,25-/m1/s1
InChIKey GPPMBDTWYFWGTR-PXDATVDWSA-N
Mol Weight 453.55 g/mol
Molecular Formula C25H27NO5S
Exact Mass 453.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91Jt41Hm9Qs
Name (4aS,8aR)-1-keto-6-methyl-2-tosyl-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid benzyl ester
Alternate Name(s) (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester (phenylmethyl) (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate benzyl (4aS,8aR)-6-methyl-1-oxo-2-(p-tolylsulfonyl)-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate benzyl (4aS,8aR)-6-methyl-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
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Formula C25H27NO5S
InChI InChI=1S/C25H27NO5S/c1-18-8-10-22(11-9-18)32(29,30)26-15-13-21-16-19(2)12-14-25(21,23(26)27)24(28)31-17-20-6-4-3-5-7-20/h3-12,21H,13-17H2,1-2H3/t21-,25-/m1/s1
InChIKey GPPMBDTWYFWGTR-PXDATVDWSA-N
Molecular Weight 453.553 g/mol
SMILES c1(S(N2C([C@@]3(C(OCc4ccccc4)=O)CC=C(C[C@]3(CC2)[H])C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-00kf-9218000000-2a1a0847334616d2d060
Source of Spectrum F-56-4036-23
Wiley ID 857278