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Spectral Data   Additional Data   Download  
Molecule
10016622
Chemical name(s)1 Butanol; 1-Butanol; Alcohol, Butyl; Alcohol, n-Butyl; Butyl Alcohol; n Butanol; n Butyl Alcohol; n-Butanol; n-Butyl Alcohol
Chemical formulaC4H10O
Molecular weight74.1216
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 71-36-3
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;DrugBank;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;FDA/USP Substance Registration S... (truncated)
Molecule keywords
DOI
13C Spectrum
10038677 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 comments994.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C 150.0
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
expt-1
ocmainz inhouse-2
1 T 62.6778 62.961.4
2 T 34.8236
3 T 18.8720 36.035.0
4 Q 13.8491 20.319.1





Spectral Data   Additional Data   Download  
Type: 13C Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
expt-0
expt-1
Chemikalienlager Uni Mainz
1 T 61.4 62.962.6778
3 T 35.0
4 T 19.1 36.034.8236
5 Q 13.6 20.318.872





Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
1-H 3.626
2-H 2.240
3-H 1.530
4-H 1.390
5-H 0.940


 
     


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