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Details
Spectral Data
Additional Data
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Molecule
10016881
Chemical name(s)
Formamide
Chemical formula
CH
3
NO
Molecular weight
45.0406
Number of double bond equivalents (DBEs)
1.0
Number of all rings, size of smallest set of smallest rings
0, 0
Canonical name(s)
O=CN
(SMILES)
formamide (IUPAC from
ACD/Name
)
formamide (Index from
ACD/Name
)
InChI=1S/CH3NO/c2-1-3/h1H,(H2,... (truncated)
(INChI)
ZHNUHDYFZUAESO-UHFFFAOYSA-N (InChI Key)
InChI=1/CH3NO/c2-1-3/h1H,(H2,2... (truncated)
(InChI with fixed H layer)
CAS-Number
75-12-7
Additional information
NCI Database
;
ChEBI
;
Links from Unichem:
PubChem Compounds;Probes And Drugs;FDA/USP Substance Registration System (SRS);PubChem ('Thomson Pharma' subset);ACToR;ACToR;Rhea;Human Metabolome Database (HMDB);Brenda;ChemicalBook;PDBe (Protein Dat... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10016881
13C Spectrum
10039008 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
1327.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories
Spectral Data
Additional Data
Download
Type: 13C
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
1
D
164.79
167.6
Report incorrect data
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