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7-chloro-5-(2-imidazolin-2-yl)-4-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine, monohydrochloride, monohydrate
SpectraBase Compound ID 4clO1qJkTXa
InChI InChI=1S/C13H16ClN3O.ClH.H2O/c1-9-4-7-18-12-3-2-10(14)8-11(12)17(9)13-15-5-6-16-13;;/h2-3,8-9H,4-7H2,1H3,(H,15,16);1H;1H2
InChIKey UQJBBKTUOMCMSL-UHFFFAOYSA-N
Mol Weight 320.22 g/mol
Molecular Formula C13H19Cl2N3O2
Exact Mass 319.085432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESAkwluIaO8
Name 7-CHLORO-5-(2-IMIDAZOLIN-2-YL)-4-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPINE, MONOHYDROCHLORIDE, MONOHYDRATE
Source of Sample F. Esser, Boehringer Ingelheim Kg, Ingelheim Am Rhein, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClN3O HCl H2O
InChI InChI=1S/C13H16ClN3O.ClH.H2O/c1-9-4-7-18-12-3-2-10(14)8-11(12)17(9)13-15-5-6-16-13;;/h2-3,8-9H,4-7H2,1H3,(H,15,16);1H;1H2
InChIKey UQJBBKTUOMCMSL-UHFFFAOYSA-N
Melting Point 155-157C
Molecular Weight 320.22
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 1,5-BENZOXAZEPINE, 7-CHLORO-5-(2-IMIDAZOLIN-2-YL)-4-METHYL-2,3,4,5-TETRAHYDRO-, MONOHYDROCHLORIDE, MONOHYDRATE