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Spectral Data   Additional Data   Download  
Molecule
10016514
Chemical name(s)anthracene
Chemical formulaC14H10
Molecular weight178.229
Number of double bond equivalents (DBEs)10.0
Number of all rings, size of smallest set of smallest rings6, 3
Canonical name(s)
CAS-Number 120-12-7
Additional information wikidata; NCI Database; ChEBI;
Links from Unichem: ZINC;EPA (Environmental Protection Agency) CompTox Dashboard;BindingDB;Mcule;ChEBI (Chemical Entities of Biological Interest).;Human Metabolome Database (HMDB);SureChEMBL;MolPort;Nikkaji;KEGG (Kyoto E... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/10016514
13C Spectrum
10038553 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature Stefan Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments870.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
hose_lotusv7
1 D 128.06 128.1128.1
2 D 125.29 125.2125.2
3 D 125.29 125.2125.2
4 D 128.06 128.1128.1
5 S 131.68 131.8131.8
6 S 131.68 131.8131.8
7 D 126.15 126.2126.2
8 S 131.68 131.8131.8
9 S 131.68 131.8131.8
10 D 126.15 126.2126.2
11 D 128.06 128.1128.1
12 D 125.29 125.2125.2
13 D 125.29 125.2125.2
14 D 128.06 128.1128.1





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
Prediction 1
acd_lotusv7
1 D 128.1 128.1128.06
2 D 125.2 125.2125.29
3 D 125.2 125.2125.29
4 D 128.1 128.1128.06
5 S 131.8 131.8131.68
6 S 131.8 131.8131.68
7 D 126.2 126.2126.15
8 S 131.8 131.8131.68
9 S 131.8 131.8131.68
10 D 126.2 126.2126.15
11 D 128.1 128.1128.06
12 D 125.2 125.2125.29
13 D 125.2 125.2125.29
14 D 128.1 128.1128.06






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