John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1rJZKBwweDy SpectraBase Spectrum ID=ELWYpjD5ufj

(accessed ).
2-(imidazol-1-yl)-3'-phenylacetophenone, monohydrochloride hemihydrate
SpectraBase Compound ID 1rJZKBwweDy
InChI InChI=1S/2C17H14N2O.2ClH.H2O/c2*20-17(12-19-10-9-18-13-19)16-8-4-7-15(11-16)14-5-2-1-3-6-14;;;/h2*1-11,13H,12H2;2*1H;1H2
InChIKey QWQNEZVCWWMVRF-UHFFFAOYSA-N
Mol Weight 307.78 g/mol
Molecular Formula C17H15ClN2O·½H2O
Exact Mass 307.092573 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ELWYpjD5ufj
Name 2-(IMIDAZOL-1-YL)-3'-PHENYLACETOPHENONE, MONOHYDROCHLORIDE, HEMIHYDRATE
Source of Sample A. Guenzi, Recordati S.p.A., Milan, Italy
CAS Registry Number 77234-75-4
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32Cl2N4O3
InChI InChI=1S/2C17H14N2O.2ClH.H2O/c2*20-17(12-19-10-9-18-13-19)16-8-4-7-15(11-16)14-5-2-1-3-6-14;;;/h2*1-11,13H,12H2;2*1H;1H2
InChIKey QWQNEZVCWWMVRF-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 24, 727(1981) Abstract-Chemical Abstracts= 95, 7143(1981)
Melting Point 193-195C
Molecular Weight 615.554993
SpectraBase Batch ID 3xbuEkvzjUg
Synonyms ACETOPHENONE, 2-/IMIDAZOL-1-YL/- 3*-PHENYL-, MONOHYDROCHLORIDE, HEMI- HYDRATE
Technique KBr WAFER