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Benzoic acid, 2-(acetylamino)-5-(ethoxysulfonyl)-, ethyl ester
SpectraBase Compound ID JXmnsn0ROXp
InChI InChI=1S/C13H17NO6S/c1-4-19-13(16)11-8-10(21(17,18)20-5-2)6-7-12(11)14-9(3)15/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKey ZSFRSBCENUHHCH-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C13H17NO6S
Exact Mass 315.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xU9ru34eK1
Name Benzoic acid, 2-(acetylamino)-5-(ethoxysulfonyl)-, ethyl ester
Alternate Name(s) Ethyl 2-acetamido-5-(ethoxysulfonyl)benzoate Ethyl 2-(acetylamino)-5-(ethoxysulfonyl)benzoate 2-Acetamido-5-ethoxysulfonylbenzoic acid ethyl ester Ethyl 2-acetamido-5-ethoxysulfonylbenzoate Ethyl 2-acetamido-5-ethoxysulfonyl-benzoate
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Formula C13H17NO6S
InChI InChI=1S/C13H17NO6S/c1-4-19-13(16)11-8-10(21(17,18)20-5-2)6-7-12(11)14-9(3)15/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKey ZSFRSBCENUHHCH-UHFFFAOYSA-N
Molecular Weight 315.340 g/mol
SMILES N(c1c(C(OCC)=O)cc(cc1)S(=O)(=O)OCC)C(C)=O
SPLASH splash10-00dj-6491000000-b9e0a7a33e7d9adad215
Source of Spectrum JX-2015-3-83
Wiley ID 1723683