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Spectral Data   Additional Data   Download  
Molecule
10016272
Chemical name(s)dibenzothiophene
Chemical formulaC12H8S
Molecular weight184.257
Number of double bond equivalents (DBEs)9.0
Number of all rings, size of smallest set of smallest rings6, 3
Canonical name(s)
CAS-Number 132-65-0
Additional information wikidata; NCI Database; ChEBI;
Links from Unichem: PubChem Compounds;Probes And Drugs;PubChem ('Thomson Pharma' subset);ACToR;SureChEMBL;FDA/USP Substance Registration System (SRS);PDBe (Protein Data Bank Europe);Rhea;Brenda;ChemicalBook;ChEBI (Chemic... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/10016272
13C Spectrum
10038262 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 comments573.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1 D 121.65 121.9
2 D 124.36 124.6
3 D 126.73 127.0
4 D 122.72 122.9
5 S 139.04 138.5
6 S 135.26 134.9
8 S 139.04 138.5
9 S 135.26 134.9
10 D 122.72 122.9
11 D 126.73 127.0
12 D 124.36 124.6
13 D 121.65 121.9

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Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
1-H 8.155
2-H 7.450
3-H 7.450
4-H 7.853
10-H
11-H
12-H
13-H

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