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Spectral Data   Additional Data   Download  
Molecule
10016149
Chemical name(s)
Chemical formulaC6H12N4
Molecular weight140.186
Number of double bond equivalents (DBEs)3.0
Number of all rings, size of smallest set of smallest rings7, 3
Canonical name(s)
CAS-Number 100-97-0
Additional information NCI Database; ChEBI;
Links from Unichem: eMolecules;Selleck;PubChem ('Thomson Pharma' subset);ZINC;Library of Integrated Network-based Cellular Signatures;FDA/USP Substance Registration System (SRS);Nikkaji;Nikkaji;DrugBank;ACToR;ACT... (truncated)
Molecule keywords
DOI
13C Spectrum
10038125 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 comments433.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 1H Unreported
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
1-H
3-H
5-H
7-H
8-H 4.719
10-H






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