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Benzoic acid, 4-[(1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-, methyl ester
SpectraBase Compound ID Ffp66AIRP36
InChI InChI=1S/C16H15NO4S/c1-21-16(18)12-6-8-15(9-7-12)22(19,20)17-10-13-4-2-3-5-14(13)11-17/h2-9H,10-11H2,1H3
InChIKey FQSMBTDJGGLLGJ-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlhBlKrZ0wY
Name Benzoic acid, 4-[(1,3-dihydro-2H-isoindol-2-yl)sulfonyl]-, methyl ester
Alternate Name(s) 4-(1,3-dihydroisoindol-2-ylsulfonyl)benzoic acid methyl ester 4-isoindolin-2-ylsulfonylbenzoic acid methyl ester Methyl 4-(1,3-dihydro-2H-isoindol-2-ylsulfonyl)benzoate Methyl 4-(1,3-dihydroisoindol-2-ylsulfonyl)benzoate Methyl 4-isoindolin-2-ylsulfonylbenzoate
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Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c1-21-16(18)12-6-8-15(9-7-12)22(19,20)17-10-13-4-2-3-5-14(13)11-17/h2-9H,10-11H2,1H3
InChIKey FQSMBTDJGGLLGJ-UHFFFAOYSA-N
Molecular Weight 317.359 g/mol
SMILES c12ccccc2CN(C1)S(=O)(c1ccc(cc1)C(OC)=O)=O
SPLASH splash10-014i-5900000000-7478b16dcc87c8af8192
Wiley ID 1449169