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3-n-Butyl-4,5-diphenyl-5-(2-propenyl)-1,2,3-oxathiazolidine 2-oxide
SpectraBase Compound ID KWSPKuMmVcW
InChI InChI=1S/C21H25NO2S/c1-3-5-17-22-20(18-12-8-6-9-13-18)21(16-4-2,24-25(22)23)19-14-10-7-11-15-19/h4,6-15,20H,2-3,5,16-17H2,1H3
InChIKey MBBOQPKZGVFIOI-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C21H25NO2S
Exact Mass 355.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tNKsTfWSl3
Name 3-n-Butyl-4,5-diphenyl-5-(2-propenyl)-1,2,3-oxathiazolidine 2-oxide
Alternate Name(s) 5-allyl-3-butyl-4,5-diphenyl-1,2,3-oxathiazolidine 2-oxide
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO2S
InChI InChI=1S/C21H25NO2S/c1-3-5-17-22-20(18-12-8-6-9-13-18)21(16-4-2,24-25(22)23)19-14-10-7-11-15-19/h4,6-15,20H,2-3,5,16-17H2,1H3
InChIKey MBBOQPKZGVFIOI-UHFFFAOYSA-N
Molecular Weight 355.496 g/mol
SMILES C1(OS(N(C1c1ccccc1)CCCC)=O)(c1ccccc1)CC=C
SPLASH splash10-0a4i-0090000000-cc9995a5150a458c0a42
Source of Spectrum F-54-8969-18
Wiley ID 808172