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2-(4-Bromophenyl)-2-oxoethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
SpectraBase Compound ID As04noaFN41
InChI InChI=1S/C21H22BrNO5S/c1-15-10-12-23(13-11-15)29(26,27)19-8-4-17(5-9-19)21(25)28-14-20(24)16-2-6-18(22)7-3-16/h2-9,15H,10-14H2,1H3
InChIKey PYUKDSVLCPZRIV-UHFFFAOYSA-N
Mol Weight 480.37 g/mol
Molecular Formula C21H22BrNO5S
Exact Mass 479.040207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjL7XAugdzc
Name 2-(4-Bromophenyl)-2-oxoethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
Alternate Name(s) 4-(4-Methyl-piperidine-1-sulfonyl)-benzoic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester 4-(4-Methylpiperidino)sulfonylbenzoic acid[2-(4-bromophenyl)-2-keto-ethyl]ester 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid[2-(4-bromophenyl)-2-oxoethyl]ester [2-(4-bromophenyl)-2-oxidanylidene-ethyl]4-(4-methylpiperidin-1-yl)sulfonylbenzoate [2-(4-bromophenyl)-2-oxo-ethyl]4-[(4-methyl-1-piperidyl)sulfonyl]benzoate [2-(4-bromophenyl)-2-oxoethyl]4-(4-methylpiperidin-1-yl)sulfonylbenzoate 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester [2-(4-bromophenyl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate [2-(4-bromophenyl)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
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Formula C21H22BrNO5S
InChI InChI=1S/C21H22BrNO5S/c1-15-10-12-23(13-11-15)29(26,27)19-8-4-17(5-9-19)21(25)28-14-20(24)16-2-6-18(22)7-3-16/h2-9,15H,10-14H2,1H3
InChIKey PYUKDSVLCPZRIV-UHFFFAOYSA-N
Molecular Weight 480.373 g/mol
SMILES CC1CCN(S(c2ccc(C(OCC(c3ccc(cc3)Br)=O)=O)cc2)(=O)=O)CC1
SPLASH splash10-053e-9500000000-846e61372212ed9806a1
Wiley ID 1452756