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2-Nitrocinnamic acid n-butyl ester
SpectraBase Compound ID AqY2T3nHJSe
InChI InChI=1S/C13H15NO4/c1-2-3-10-18-13(15)9-8-11-6-4-5-7-12(11)14(16)17/h4-9H,2-3,10H2,1H3
InChIKey PBLGJGYRWRNMBL-UHFFFAOYSA-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 EDdaHVfI1ni
Name 2-Nitrocinnamic acid n-butyl ester
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-3-10-18-13(15)9-8-11-6-4-5-7-12(11)14(16)17/h4-9H,2-3,10H2,1H3
InChIKey PBLGJGYRWRNMBL-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.43
Molecular Weight 249.266 g/mol
SMILES c1([N+](=O)[O-])c(cccc1)C=CC(OCCCC)=O
SPLASH splash10-003s-1900000000-cd118fa4418b03893026
Source of Spectrum BJO-6-SM8-5af
Wiley ID 1871657