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(E)-Dimethyl 2-(4-nitrobenzylidene)succinate
SpectraBase Compound ID IXGIYFzrLIw
InChI InChI=1S/C13H13NO6/c1-19-12(15)8-10(13(16)20-2)7-9-3-5-11(6-4-9)14(17)18/h3-7H,8H2,1-2H3/b10-7+
InChIKey NTXJJDWYHASHAR-JXMROGBWSA-N
Mol Weight 279.25 g/mol
Molecular Formula C13H13NO6
Exact Mass 279.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z4b7L6luq
Name (E)-Dimethyl 2-(4-nitrobenzylidene)succinate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.074287137 u
Formula C13H13NO6
InChI InChI=1S/C13H13NO6/c1-19-12(15)8-10(13(16)20-2)7-9-3-5-11(6-4-9)14(17)18/h3-7H,8H2,1-2H3/b10-7+
InChIKey NTXJJDWYHASHAR-JXMROGBWSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Quality 678
Reported Formula C13H13O6N
SMILES C=1C(=CC=C(\C=C\(C(=O)OC)CC(=O)OC)C1)[N+]([O-])=O
SPLASH splash10-00kb-2960000000-a668e06d708722842abc
Source of Spectrum QE-22-SM13-3as (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.49 (SiO2, CH/EtOAc, 2:1)
Wiley ID 1903605