title: A complete 1H and 13C NMR data assignment for 3-phenylmethylene-1H,3H-naphtho-[1,8-c,d]-pyran-1-one.
abstract: Complete assignments of the 1H and 13C NMR chemical shifts for 3-phenylmethylene-1H,3H-naphtho-[1,8-c,d]-pyran-1-one were done by means of one- and two-dimensional NMR techniques, including 1H-(1)H COSY, HMQC and HMBC spectra. Ab initio quantum chemistry calculations and a shift prediction by an incremental method provided values close to the proposed assignments. All mid-IR spectral bands are given as reference data. The DRIFT FTIR, ATR FTIR and Raman spectra are given as a Supplementary data in JCAMP-DX format, version 4.24. In addition, a method of compound's synthesis, that has the product yield higher as compared to already known data in the literature, is given.
authors.affiliation: Department of Chemistry, University of Plovdiv, 4000 Plovdiv, Bulgaria. plamen@uni-plovdiv.bg
authors.forename: Plamen N
authors.initials: PN
authors.lastname: Penchev
authors.forename: Neyko M
authors.initials: NM
authors.lastname: Stoyanov
authors.forename: Marin N
authors.initials: MN
authors.lastname: Marinov
mesh_terms: D002247:Carbon Isotopes; D009682:Magnetic Resonance Spectroscopy; D009281:Naphthalenes / Q000737:chemistry*; D011522:Protons; D011714:Pyrans / Q000737:chemistry*; D044366:Transition Temperature
chemical_list: C557860:3-phenylmethylene-1H,3H-naphtho-(1,8-c,d)-pyran-1-one; D002247:Carbon Isotopes; D009281:Naphthalenes; D011522:Protons; D011714:Pyrans