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Spectral Data   Additional Data   Download  
Molecule
20036226
Chemical name(s)fluorobenzene
Chemical formulaC6H5F
Molecular weight96.1023
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 462-06-6
Additional information NCI Database; ChEBI;
Links from Unichem: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEMBL;ChEBI (Chemical Entities of Biological Interest).;eMolecules;PubChem Compounds;MolPort;PubChem ('Thomson Pharma' subset);ACToR;FDA/USP Subs... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/20036226
1H Spectrum
60009074 Rating: 10 (10: nmrshiftdb2 quality check: 10 (accept)/reliability: excellent (admin))
Type1H
Measurement conditions
Temperature [K]298
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]150.0
Assignment Method1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY
Literature Juan A. Aguilar; Gareth A. Morris; Alan M. Kenwright: “Pure shift” 1H NMR, a robust method for revealing heteronuclear couplings in complex spectra, in: RSC Advances, vol. 4/2014, pp. 8278 - 8282 (DOI: 10.1039/c3ra46745g).
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Spectrum categories



Spectral Data   Additional Data   Download  
Type: 19F Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
7 S -113.5

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Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
1 S 163.3
2 D 115.5
3 D 130.1
4 D 124.1
5 D 130.1
6 D 115.5

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