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4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol

View entire compound with spectra: 1 MS (GC)

4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol
SpectraBase Compound ID BmsybXUTSlt
InChI InChI=1S/C13H19BrN2O3S/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3
InChIKey SIXBRIXMOMXMEH-UHFFFAOYSA-N
Mol Weight 363.27 g/mol
Molecular Formula C13H19BrN2O3S
Exact Mass 362.029977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTCmW0sVn0j
Name 4-Bromo-2-(4-ethanesulfonyl-piperazin-1-ylmethyl)-phenol
Alternate Name(s) 4-Bromanyl-2-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenol 4-Bromo-2-[(4-esylpiperazino)methyl]phenol 4-Bromo-2-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenol 4-Bromo-2-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenol
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Formula C13H19BrN2O3S
InChI InChI=1S/C13H19BrN2O3S/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17/h3-4,9,17H,2,5-8,10H2,1H3
InChIKey SIXBRIXMOMXMEH-UHFFFAOYSA-N
Molecular Weight 363.270 g/mol
SMILES Oc1c(CN2CCN(S(=O)(=O)CC)CC2)cc(cc1)Br
SPLASH splash10-000i-9100000000-b8777ad9a7796fcf1ae0
Wiley ID 1463736