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Details
sdbs
Spectral Data
Additional Data
Download
Molecule
20096880
Chemical name(s)
prop-2-enamide
Chemical formula
C
3
H
5
NO
Molecular weight
71.0779
Number of double bond equivalents (DBEs)
2.0
Number of all rings, size of smallest set of smallest rings
0, 0
Canonical name(s)
O=C(N)C=C
(SMILES)
InChI=1S/C3H5NO/c1-2-3(4)5/h2H... (truncated)
(INChI)
HRPVXLWXLXDGHG-UHFFFAOYSA-N (InChI Key)
InChI=1/C3H5NO/c1-2-3(4)5/h2H,... (truncated)
(InChI with fixed H layer)
CAS-Number
79-06-1
Additional information
ChEBI
;
Links from Unichem:
PubChem Compounds;Probes And Drugs;FDA/USP Substance Registration System (SRS);PubChem ('Thomson Pharma' subset);ACToR;ACToR;BindingDB;ChemicalBook;Rhea;Human Metabolome Database (HMDB);Brenda;Brenda;... (truncated)
Molecule keywords
DOI
13C Spectrum
20130717 Rating: 10
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Unreported
Field Strength [MHz]
Unreported
Assignment Method
Unreported
Literature
Additional comments
S1461.mol; multiplicities generated from H count
Additional information
sdbs
Spectrum categories
sdbs
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
4-H
6.320
5-H
6.240, 5.817
Report incorrect data
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