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(S)-2-CHLORO-BETA,4,5-TRIHYDROXY-N-METHYLBENZENE-ETHANAMINE
SpectraBase Compound ID JT5QxB2Y5bm
InChI InChI=1S/C9H12ClNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3/t9-/m1/s1
InChIKey WGLHACVEDCWGBO-SECBINFHSA-N
Mol Weight 217.65 g/mol
Molecular Formula C9H12ClNO3
Exact Mass 217.050571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HamKxB2Bxih
Name (S)-2-CHLORO-BETA,4,5-TRIHYDROXY-N-METHYLBENZENE-ETHANAMINE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12ClNO3
InChI InChI=1S/C9H12ClNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3/t9-/m1/s1
InChIKey WGLHACVEDCWGBO-SECBINFHSA-N
Literature Reference Author M.KNOLLMUELLER,P.GAERTNER,J.PERNERSTORFER,P.POJARLIEV,H.B.ST EGMANN
Literature Reference Citation MH.CHEM.,130,451(1999)
Literature Reference DOI 10.1007/s007060050204
Molecular Weight 217.652 g/mol
Solvent D2O
Source File Reference UWMP751