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General   chemie koeln_RUB/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
60004995
Chemical name(s)butyl acrylate; Butyl prop-2-enoate
Chemical formulaC7H12O2
Molecular weight128.169
Number of double bond equivalents (DBEs)2.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 141-32-2
Additional information
Links from Unichem: ChEMBL;KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;IBM strategic IP insight platform and the National Institutes of Health;F... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/60004995
1H Spectrum
60004158 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type1H
Measurement conditions
Temperature [K]300
SolventH2O+D2O
Field Strength [MHz]150.90280151367188
Assignment Method1H, 1H, H,H-COSY, H,C-HSQC, 1H, 1H
Literature
Additional commentsData from Ruhr University Bochum, Laboratory Prof. R. Stoll
nmrshiftdb2 quality report Download
Additional information
Spectrum categorieschemie koeln;RUB



Spectral Data   Additional Data   Download  
Type: 1H 150.90280151367188
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
2-H dd (1.3,17.4);dd (1.3,10.5) 6.32 (H 10), 5.74 (H 11)
3-H dd (17.4,10.5) 6.05
4-H t (6.7) 4.09
5-H (6.7) 1.59
6-H 1.34
7-H t (7.4);t;t 0.88

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