(+)-[3aS,4S,7R,7aS.(S)R]-2-Methyl-4-phenyl-7-(p-tolylsulfinyl)-3a,4,7,7a-tetrahydroisodole-1,3-dione

SpectraBase Compound ID	7MNAF2bA0CK
InChI	InChI=1S/C22H21NO3S/c1-14-8-10-16(11-9-14)27(26)18-13-12-17(15-6-4-3-5-7-15)19-20(18)22(25)23(2)21(19)24/h3-13,17-20H,1-2H3/t17-,18-,19+,20+,27?/m1/s1
InChIKey	ZKXYTQWFIVCDMX-KQLAAARZSA-N Google Search
Mol Weight	379.47 g/mol
Molecular Formula	C22H21NO3S
Exact Mass	379.124215 g/mol

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SpectraBase Spectrum ID	B12uSZuXOEa
Name	(+)-[3aS,4S,7R,7aS.(S)R]-2-Methyl-4-phenyl-7-(p-tolylsulfinyl)-3a,4,7,7a-tetrahydroisodole-1,3-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21NO3S
InChI	InChI=1S/C22H21NO3S/c1-14-8-10-16(11-9-14)27(26)18-13-12-17(15-6-4-3-5-7-15)19-20(18)22(25)23(2)21(19)24/h3-13,17-20H,1-2H3/t17-,18-,19+,20+,27?/m1/s1
InChIKey	ZKXYTQWFIVCDMX-KQLAAARZSA-N
Molecular Weight	379.474 g/mol
SMILES	[C@@]12(C(N(C)C([C@]2([C@@](c2ccccc2)(C=C[C@]1(S(c1ccc(cc1)C)=O)[H])[H])[H])=O)=O)[H]
SPLASH	splash10-0zg3-0930000000-2ea16ae90755ad5b7af4
Source of Spectrum	J-59-3425-4
Synonyms	(3aS,4R,7S,7aS)-2-methyl-4-[(4-methylphenyl)sulfinyl]-7-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Wiley ID	1359300