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3',4'-dihydroxy-2-(methylamino)acetophenone, hydrochloride, hydrate

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3',4'-dihydroxy-2-(methylamino)acetophenone, hydrochloride, hydrate
SpectraBase Compound ID DPeKuiwC9TJ
InChI InChI=1S/C9H11NO3.ClH.H2O/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;;/h2-4,10-12H,5H2,1H3;1H;1H2
InChIKey BMLBCKUUKRDXCW-UHFFFAOYSA-N
Mol Weight 235.67 g/mol
Molecular Formula C9H14ClNO4
Exact Mass 235.061136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qRJZIEn0XY
Name 3',4'-DIHYDROXY-2-(METHYLAMINO)ACETOPHENONE, HYDROCHLORIDE, HYDRATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 62-13-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3 HCl H2O
InChI InChI=1S/C9H11NO3.ClH.H2O/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;;/h2-4,10-12H,5H2,1H3;1H;1H2
InChIKey BMLBCKUUKRDXCW-UHFFFAOYSA-N
Molecular Weight 235.67
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ADRENALONE, HYDROCHLORIDE, HYDRATE ACETOPHENONE, 3',4'-DIHYDROXY- 2-/METHYLAMINO/-, HYDROCHLORIDE, HYDRATE