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(4-amino-5-methyl-2,2-dioxo-oxathiol-5-yl)methyl benzoate
SpectraBase Compound ID Fgd4KeMAjTn
InChI InChI=1S/C12H13NO5S/c1-12(10(13)7-19(15,16)18-12)8-17-11(14)9-5-3-2-4-6-9/h2-7H,8,13H2,1H3
InChIKey MYHNDZBWMAUELF-UHFFFAOYSA-N
Mol Weight 283.3 g/mol
Molecular Formula C12H13NO5S
Exact Mass 283.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEvwaTzoFKK
Name (4-amino-5-methyl-2,2-dioxo-oxathiol-5-yl)methyl benzoate
Alternate Name(s) benzoic acid (4-amino-2,2-diketo-5-methyl-oxathiol-5-yl)methyl ester benzoic acid (4-amino-5-methyl-2,2-dioxo-5-oxathiolyl)methyl ester [4-azanyl-5-methyl-2,2-bis(oxidanylidene)-1,2-oxathiol-5-yl]methyl benzoate
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Formula C12H13NO5S
InChI InChI=1S/C12H13NO5S/c1-12(10(13)7-19(15,16)18-12)8-17-11(14)9-5-3-2-4-6-9/h2-7H,8,13H2,1H3
InChIKey MYHNDZBWMAUELF-UHFFFAOYSA-N
Molecular Weight 283.298 g/mol
SMILES NC1=CS(OC1(C)COC(c1ccccc1)=O)(=O)=O
SPLASH splash10-0a4i-3900000000-d99e07b7315111428f72
Source of Spectrum F-53-17808-9
Wiley ID 805122