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Details
Spectral Data
Additional Data
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Molecule
10009837
Chemical name(s)
N-ethylmaleimide
Chemical formula
C
6
H
7
NO
2
Molecular weight
125.125
Number of double bond equivalents (DBEs)
4.0
Number of all rings, size of smallest set of smallest rings
1, 1
Canonical name(s)
O=C1C=CC(=O)N1CC
(SMILES)
1-ethyl-1H-pyrrole-2,5-dione (IUPAC from
ACD/Name
)
1H-pyrrole-2,5-dione, 1-ethyl-... (truncated)
(Index from
ACD/Name
)
InChI=1S/C6H7NO2/c1-2-7-5(8)3-... (truncated)
(INChI)
HDFGOPSGAURCEO-UHFFFAOYSA-N (InChI Key)
InChI=1/C6H7NO2/c1-2-7-5(8)3-4... (truncated)
(InChI with fixed H layer)
CAS-Number
128-53-0
Additional information
NCI Database
;
ChEBI
;
Links from Unichem:
PubChem ('Thomson Pharma' subset);PubChem Compounds;Probes And Drugs;SureChEMBL;Library of Integrated Network-based Cellular Signatures;ACToR;ACToR;FDA/USP Substance Registration System (SRS);Brenda;R... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10009837
1H Spectrum
10017948 Rating: 10
Type
1H
Measurement conditions
Temperature [K]
Unreported
Solvent
Chloroform-D1 (CDCl3)
Field Strength [MHz]
60
Assignment Method
1D shift positions
Literature
W.W.Simons; M.Zanger: The Sadtler Guide to NMR Spectra, Philadelphia: Sadtler Research Laboratories, Inc. 1972.
Additional comments
Additional information
Spectrum categories
Spectral Data
Additional Data
Download
Type: 13C Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1
D
134.1
2
D
134.1
3
S
170.6
4
S
170.6
6
T
32.7
7
Q
13.9
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