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Butyl (E)-3-nitrocinnamate
SpectraBase Compound ID J8hsJs49hlN
InChI InChI=1S/C13H15NO4/c1-2-3-9-18-13(15)8-7-11-5-4-6-12(10-11)14(16)17/h4-8,10H,2-3,9H2,1H3/b8-7+
InChIKey MPSQCCZMNQTKKE-BQYQJAHWSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMxjA5W6KgQ
Name Butyl (E)-3-nitrocinnamate
Alternate Name(s) Butyl (E)-3-(3-nitrophenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-3-9-18-13(15)8-7-11-5-4-6-12(10-11)14(16)17/h4-8,10H,2-3,9H2,1H3/b8-7+
InChIKey MPSQCCZMNQTKKE-BQYQJAHWSA-N
Literature Reference DOI 10.1002/cctc.201100345
Molecular Weight 249.266 g/mol
SMILES C(\C=C\c1cc(ccc1)[N+](=O)[O-])(=O)OCCCC
SPLASH splash10-0fb9-0900000000-6f8641cec61a2fcba2cf
Source of Spectrum CCC-4-546/SM10-10_1
Wiley ID 1786913