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Hexanoic acid, 6-[[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl][(4-methylphenyl)sulfonyl]amino]-, methyl ester
SpectraBase Compound ID I4OV035JLqj
InChI InChI=1S/C25H30N2O6S/c1-19-12-14-20(15-13-19)34(31,32)26(16-7-3-4-11-23(28)33-2)17-8-18-27-24(29)21-9-5-6-10-22(21)25(27)30/h5-6,9-10,12-15H,3-4,7-8,11,16-18H2,1-2H3
InChIKey BQRGVSCHZMSFDS-UHFFFAOYSA-N
Mol Weight 486.58 g/mol
Molecular Formula C25H30N2O6S
Exact Mass 486.182458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pcnumPlPPG
Name Hexanoic acid, 6-[[3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl][(4-methylphenyl)sulfonyl]amino]-, methyl ester
CAS Registry Number 67370-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O6S
InChI InChI=1S/C25H30N2O6S/c1-19-12-14-20(15-13-19)34(31,32)26(16-7-3-4-11-23(28)33-2)17-8-18-27-24(29)21-9-5-6-10-22(21)25(27)30/h5-6,9-10,12-15H,3-4,7-8,11,16-18H2,1-2H3
InChIKey BQRGVSCHZMSFDS-UHFFFAOYSA-N
Molecular Weight 486.583 g/mol
SMILES Cc1ccc(cc1)S(N(CCCCCC(=O)OC)CCCN1C(c2ccccc2C1=O)=O)(=O)=O
SPLASH splash10-08gu-2900000000-0afa555b1324165345ba
Source of Spectrum H-61-1059-0
Synonyms Methyl 6-([3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl][(4-methylphenyl)sulfonyl]amino)hexanoate 6-[3-(1,3-dioxo-2-isoindolyl)propyl-(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester 6-[3-phthalimidopropyl(tosyl)amino]hexanoic acid methyl ester Methyl 6-[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]hexanoate Methyl 6-[3-(1,3-dioxoisoindolin-2-yl)propyl-(p-tolylsulfonyl)amino]hexanoate Methyl 6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-(4-methylphenyl)sulfonyl-amino]hexanoate Methyl ester of 10-Phthalimido-7-tosyl-7-azadecanoic acid
Wiley ID 1396448