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(S)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-2-(DIMETHYLAMINO)-PROPANOIC_ACID
SpectraBase Compound ID Fjz7QXEg45g
InChI InChI=1S/C12H15Br2NO3/c1-15(2)10(12(16)17)6-7-4-8(13)11(18-3)9(14)5-7/h4-5,10H,6H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKey VNNAMEGANCGNNT-JTQLQIEISA-N
Mol Weight 381.06 g/mol
Molecular Formula C12H15Br2NO3
Exact Mass 378.941869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKoMW6tGL7N
Name (S)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-2-(DIMETHYLAMINO)-PROPANOIC_ACID
Compound Number 11
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Formula C12H15Br2NO3
InChI InChI=1S/C12H15Br2NO3/c1-15(2)10(12(16)17)6-7-4-8(13)11(18-3)9(14)5-7/h4-5,10H,6H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKey VNNAMEGANCGNNT-JTQLQIEISA-N
Literature Reference Author S.K.KOTTAKOTA,D.EVANGELOPOULOS,A.ALNIMR,S.BHAKTA,T.D.MCHUGH, M.GRAY,P.W.GROUNDWAT
Literature Reference Citation J.NAT.PROD.,75,1090(2012)
Literature Reference DOI 10.1021/np300102z
Molecular Weight 381.064 g/mol
Sample ID 41125
Solvent DMSO-D6