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Spectral Data   Additional Data   Download  
Molecule
10006033
Chemical name(s)BENZENE,1,3-DIHYDROXY RESORCINOL
Chemical formulaC6H6O2
Molecular weight110.111
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 108-46-3
Additional information NCI Database; ChEBI;
Links from Unichem: PDBe (Protein Data Bank Europe);PubChem Compounds;Brenda;Brenda;Brenda;Brenda;Brenda;Brenda;ChEMBL;eMolecules;Library of Integrated Network-based Cellular Signatures;KEGG (Kyoto Encyclopedia of Genes ... (truncated)
Molecule keywords
DOI
13C Spectrum
10037940 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments241.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
1 S 157.9 0.46 159.3
2 D 103.8 0.418 105.3
3 S 157.9 0.46 159.3
4 D 108.7 1.0 110.3
5 D 131.8 0.472 133.3
6 D 108.7 1.0 110.3

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