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Details
Spectral Data
Additional Data
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Molecule
10016171
Chemical name(s)
1,3-Dioxalane-2-one; Ethylene carbonate
Chemical formula
C
3
H
4
O
3
Molecular weight
88.0621
Number of double bond equivalents (DBEs)
2.0
Number of all rings, size of smallest set of smallest rings
1, 1
Canonical name(s)
O=C1OCCO1
(SMILES)
1,3-dioxolan-2-one (IUPAC from
ACD/Name
)
1,3-dioxolan-2-one (Index from
ACD/Name
)
InChI=1S/C3H4O3/c4-3-5-1-2-6-3... (truncated)
(INChI)
KMTRUDSVKNLOMY-UHFFFAOYSA-N (InChI Key)
InChI=1/C3H4O3/c4-3-5-1-2-6-3/... (truncated)
(InChI with fixed H layer)
CAS-Number
96-49-1
Additional information
NCI Database
;
Links from Unichem:
PubChem Compounds;SureChEMBL;Mcule;MolPort;Nikkaji;Human Metabolome Database (HMDB);ChEMBL;EPA (Environmental Protection Agency) CompTox Dashboard;ZINC;ChemicalBook;eMolecules;ChEBI (Chemical Entities... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10016171
13C Spectrum
10038149 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
457.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
S
156.22
156.1
3
T
65.18
65.1
4
T
65.18
65.1
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