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Ethyl 4-[5-(acetylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
SpectraBase Compound ID ItfNSiqHTiz
InChI InChI=1S/C19H16N2O5/c1-3-26-19(25)12-4-7-14(8-5-12)21-17(23)15-9-6-13(20-11(2)22)10-16(15)18(21)24/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey BXZSDQQBIDQQAZ-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C19H16N2O5
Exact Mass 352.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhaKTlhQQ3U
Name Ethyl 4-[5-(acetylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
Alternate Name(s) 4-(5-acetamido-1,3-diketo-isoindolin-2-yl)benzoic acid ethyl ester 4-(5-acetamido-1,3-dioxo-2-isoindolyl)benzoic acid ethyl ester Benzoic acid, 4-(1,3-dihydro-5-acetylamino-1,3-dioxoisoindol-2-yl)-, ethyl ester Ethyl 4-(5-acetamido-1,3-dioxo-isoindolin-2-yl)benzoate Ethyl 4-(5-acetamido-1,3-dioxoisoindol-2-yl)benzoate Ethyl 4-[5-acetamido-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate
CAS Registry Number 313515-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O5
InChI InChI=1S/C19H16N2O5/c1-3-26-19(25)12-4-7-14(8-5-12)21-17(23)15-9-6-13(20-11(2)22)10-16(15)18(21)24/h4-10H,3H2,1-2H3,(H,20,22)
InChIKey BXZSDQQBIDQQAZ-UHFFFAOYSA-N
Molecular Weight 352.346 g/mol
SMILES N(C(=O)C)c1cc2C(N(C(c2cc1)=O)c1ccc(C(=O)OCC)cc1)=O
SPLASH splash10-0006-9332000000-1c441c999f8bd2b8af8e
Source of Spectrum AD-0-2532-0
Wiley ID 1426311