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Details
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Molecule | 20036226 |
Chemical name(s) | fluorobenzene
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Chemical formula | C6H5F |
Molecular weight | 96.1023 |
Number of double bond equivalents (DBEs) | 4.0 |
Number of all rings, size of smallest set of smallest rings | 1, 1 |
Canonical name(s) |
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CAS-Number |
462-06-6
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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)
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Molecule keywords | |
DOI | 10.18716/nmrshiftdb2/20036226 |
1H Spectrum | 60009074
Rating: 10 (10: nmrshiftdb2 quality check: 10 (accept)/reliability: excellent (admin)) |
Type | 1H |
Measurement conditions
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Temperature [K] | 298 |
Solvent | Chloroform-D1 (CDCl3) |
Field Strength [MHz] | 150.0 |
Assignment Method | 1H, 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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Additional comments | |
nmrshiftdb2 quality report |
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