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5-Methyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-4-yl 4-nitrobenzoate
SpectraBase Compound ID 8O81G6EJtB6
InChI InChI=1S/C23H20N2O6S/c1-15-3-11-20(12-4-15)32(29,30)24-13-18-6-5-16(2)22(21(18)14-24)31-23(26)17-7-9-19(10-8-17)25(27)28/h3-12H,13-14H2,1-2H3
InChIKey GISJKGIPAKSVTD-UHFFFAOYSA-N
Mol Weight 452.48 g/mol
Molecular Formula C23H20N2O6S
Exact Mass 452.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEOdC1FZC6W
Name 5-Methyl-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-isoindol-4-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2O6S
InChI InChI=1S/C23H20N2O6S/c1-15-3-11-20(12-4-15)32(29,30)24-13-18-6-5-16(2)22(21(18)14-24)31-23(26)17-7-9-19(10-8-17)25(27)28/h3-12H,13-14H2,1-2H3
InChIKey GISJKGIPAKSVTD-UHFFFAOYSA-N
Molecular Weight 452.481 g/mol
SMILES C(c1ccc(cc1)N(=O)=O)(=O)Oc1c2CN(Cc2ccc1C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0f6t-0690000000-e4638f5e8c03096c17ae
Source of Spectrum QF-9-4345-15
Wiley ID 1558856