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Details
Spectral Data
Additional Data
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Molecule
10016233
Chemical name(s)
pyridazine
Chemical formula
C
4
H
4
N
2
Molecular weight
80.088
Number of double bond equivalents (DBEs)
4.0
Number of all rings, size of smallest set of smallest rings
1, 1
Canonical name(s)
n1ncccc1
(SMILES)
pyridazine (IUPAC from
ACD/Name
)
pyridazine (Index from
ACD/Name
)
InChI=1S/C4H4N2/c1-2-4-6-5-3-1... (truncated)
(INChI)
PBMFSQRYOILNGV-UHFFFAOYSA-N (InChI Key)
InChI=1/C4H4N2/c1-2-4-6-5-3-1/... (truncated)
(InChI with fixed H layer)
CAS-Number
6164-80-3
Additional information
NCI Database
;
ChEBI
;
Links from Unichem:
ChEBI (Chemical Entities of Biological Interest).;ChEMBL;eMolecules;ACToR;FDA/USP Substance Registration System (SRS);PubChem Compounds;PubChem ('Thomson Pharma' subset);ChemicalBook;EPA (Environmenta... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10016233
13C Spectrum
10038222 Rating: 10
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Unreported
Field Strength [MHz]
Unreported
Assignment Method
Unreported
Literature
Stefan Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments
531.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories
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