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Benzoic acid, 4-(4-morpholinylsulfonyl)-, 2-(4-nitrophenyl)-2-oxoethyl ester
SpectraBase Compound ID 3mpgZOrn9i3
InChI InChI=1S/C19H18N2O8S/c22-18(14-1-5-16(6-2-14)21(24)25)13-29-19(23)15-3-7-17(8-4-15)30(26,27)20-9-11-28-12-10-20/h1-8H,9-13H2
InChIKey GSOUJHSMHSBBFY-UHFFFAOYSA-N
Mol Weight 434.42 g/mol
Molecular Formula C19H18N2O8S
Exact Mass 434.078387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D54OOyxGK
Name Benzoic acid, 4-(4-morpholinylsulfonyl)-, 2-(4-nitrophenyl)-2-oxoethyl ester
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Formula C19H18N2O8S
InChI InChI=1S/C19H18N2O8S/c22-18(14-1-5-16(6-2-14)21(24)25)13-29-19(23)15-3-7-17(8-4-15)30(26,27)20-9-11-28-12-10-20/h1-8H,9-13H2
InChIKey GSOUJHSMHSBBFY-UHFFFAOYSA-N
Molecular Weight 434.419 g/mol
SMILES C1OCCN(S(c2ccc(C(OCC(c3ccc(N(=O)=O)cc3)=O)=O)cc2)(=O)=O)C1
SPLASH splash10-0k9i-9300000000-59dba0bd152148a49c0b
Source of Spectrum IY-1-4625-6
Synonyms 4-(4-morpholinylsulfonyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester [2-(4-nitrophenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate [2-(4-nitrophenyl)-2-oxo-ethyl] 4-morpholinosulfonylbenzoate [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate
Wiley ID 1654239