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Methyl 4-[4'-[[4"-(phenylmethoxy)phenyl]methyl)}-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-benzoate
SpectraBase Compound ID 4BLn4gEF81o
InChI InChI=1S/C24H22N2O6S/c1-31-24(28)19-9-11-20(12-10-19)26-23(27)22(25-33(26,29)30)15-17-7-13-21(14-8-17)32-16-18-5-3-2-4-6-18/h2-14,22,25H,15-16H2,1H3
InChIKey RERORXRFKFUISJ-UHFFFAOYSA-N
Mol Weight 466.51 g/mol
Molecular Formula C24H22N2O6S
Exact Mass 466.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD48i4Pvc45
Name Methyl 4-[4'-[[4"-(phenylmethoxy)phenyl]methyl)}-1',1',3'-trioxo-1-.lambda( 6).,2,5-thiadiazolan-2'-yl]-benzoate
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Formula C24H22N2O6S
InChI InChI=1S/C24H22N2O6S/c1-31-24(28)19-9-11-20(12-10-19)26-23(27)22(25-33(26,29)30)15-17-7-13-21(14-8-17)32-16-18-5-3-2-4-6-18/h2-14,22,25H,15-16H2,1H3
InChIKey RERORXRFKFUISJ-UHFFFAOYSA-N
Molecular Weight 466.508 g/mol
SMILES N1C(C(N(S1(=O)=O)c1ccc(C(=O)OC)cc1)=O)Cc1ccc(OCc2ccccc2)cc1
SPLASH splash10-00di-2900000000-8bdebb87246186af186b
Source of Spectrum H-82-2442-7
Synonyms Methyl 4-[4'-[[4''-(phenylmethoxy)phenyl]methyl)}-1',1',3'-trioxo-1-lambda(6)-[1,2,5-thiadiazolan-2'-yl]-benzoate
Wiley ID 815746