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(3aR,7aS,Sa,Ss)-3a,4,7,7a-Tetrahydro-5-(2'-hydroxy-1,1'-binaphthalen-2-sulfinyl)-2,6-dimethyl-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 4BF8c4AN4G7
InChI InChI=1S/C30H25NO4S/c1-17-15-22-23(30(34)31(2)29(22)33)16-26(17)36(35)25-14-12-19-8-4-6-10-21(19)28(25)27-20-9-5-3-7-18(20)11-13-24(27)32/h3-14,22-23,32H,15-16H2,1-2H3
InChIKey QCBYHNMOVHZUMO-UHFFFAOYSA-N
Mol Weight 495.59 g/mol
Molecular Formula C30H25NO4S
Exact Mass 495.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gtp5BliSGbr
Name (3aR,7aS,Sa,Ss)-3a,4,7,7a-Tetrahydro-5-(2'-hydroxy-1,1'-binaphthalen-2-sulfinyl)-2,6-dimethyl-1H-isoindole-1,3(2H)-dione
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Formula C30H25NO4S
InChI InChI=1S/C30H25NO4S/c1-17-15-22-23(30(34)31(2)29(22)33)16-26(17)36(35)25-14-12-19-8-4-6-10-21(19)28(25)27-20-9-5-3-7-18(20)11-13-24(27)32/h3-14,22-23,32H,15-16H2,1-2H3
InChIKey QCBYHNMOVHZUMO-UHFFFAOYSA-N
Molecular Weight 495.593 g/mol
SMILES Oc1c(-c2c(S(C=3CC4C(N(C(C4CC3C)=O)C)=O)=O)ccc3ccccc23)c2c(cccc2)cc1
SPLASH splash10-0apm-9000000000-a83ec59833bd24188c5b
Source of Spectrum KC-61-11908-23
Wiley ID 1631566