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Ethyl 2-[(E)-(3-nitrophenyl)methylidene]-3-pentynoate
SpectraBase Compound ID 3VpypvrYGfV
InChI InChI=1S/C14H13NO4/c1-3-6-12(14(16)19-4-2)9-11-7-5-8-13(10-11)15(17)18/h5,7-10H,4H2,1-2H3/b12-9+
InChIKey GWLCDAMFTXTOOO-FMIVXFBMSA-N
Mol Weight 259.26 g/mol
Molecular Formula C14H13NO4
Exact Mass 259.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qD7awF0kC1
Name Ethyl 2-[(E)-(3-nitrophenyl)methylidene]-3-pentynoate
Alternate Name(s) (E)-ethyl 2-(3-nitrobenzylidene)pent-3-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO4
InChI InChI=1S/C14H13NO4/c1-3-6-12(14(16)19-4-2)9-11-7-5-8-13(10-11)15(17)18/h5,7-10H,4H2,1-2H3/b12-9+
InChIKey GWLCDAMFTXTOOO-FMIVXFBMSA-N
Literature Reference DOI 10.1002/adsc.201200807
Molecular Weight 259.261 g/mol
SMILES c1([N+]([O-])=O)cc(\C=C/(C#CC)C(=O)OCC)ccc1
SPLASH splash10-000i-0910000000-bfdef9ad23578ea349fa
Source of Spectrum ASC-355-n/a/SM16-5c
Wiley ID 1761911