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Butyl (E)-4-nitrocinnamate

View entire compound with spectra: 3 MS (GC)

Butyl (E)-4-nitrocinnamate
SpectraBase Compound ID H8aoLofE5IW
InChI InChI=1S/C13H15NO4/c1-2-3-10-18-13(15)9-6-11-4-7-12(8-5-11)14(16)17/h4-9H,2-3,10H2,1H3/b9-6+
InChIKey DBBAKOSVOAEWCF-RMKNXTFCSA-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 DkWVFhByUaQ
Name Butyl (E)-4-nitrocinnamate
Alternate Name(s) Butyl (E)-3-(4-nitrophenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-3-10-18-13(15)9-6-11-4-7-12(8-5-11)14(16)17/h4-9H,2-3,10H2,1H3/b9-6+
InChIKey DBBAKOSVOAEWCF-RMKNXTFCSA-N
Literature Reference DOI 10.1002/cctc.201100345
Molecular Weight 249.266 g/mol
SMILES C(\C=C\c1ccc(cc1)[N+](=O)[O-])(=O)OCCCC
SPLASH splash10-0kdl-1910000000-5ab66b3e139c1485ffa0
Source of Spectrum CCC-4-546/SM10-9_5
Wiley ID 1786950