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4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid 3-phenyl-allyl ester
SpectraBase Compound ID AOCIOzhQkEj
InChI InChI=1S/C19H15NO5/c21-18(16-9-4-10-17(14-16)20(23)24)11-12-19(22)25-13-5-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-5-,12-11+
InChIKey LEKSFNZVPRDBDP-OUICKUJRSA-N
Mol Weight 337.33 g/mol
Molecular Formula C19H15NO5
Exact Mass 337.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8MrT0cYA7Z
Name 4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid 3-phenyl-allyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO5
InChI InChI=1S/C19H15NO5/c21-18(16-9-4-10-17(14-16)20(23)24)11-12-19(22)25-13-5-8-15-6-2-1-3-7-15/h1-12,14H,13H2/b8-5-,12-11+
InChIKey LEKSFNZVPRDBDP-OUICKUJRSA-N
Literature Reference DOI 10.1002/cmdc.200600284
Molecular Weight 337.331 g/mol
SMILES C(\C=C\C(c1cccc(c1)[N+](=O)[O-])=O)(OC\C=C/c1ccccc1)=O
SPLASH splash10-067i-2910000000-4abb6bf04375ffbf5120
Source of Spectrum CMC-2-441/SM6-8b
Synonyms (E)-(Z)-3-phenylallyl 4-(3-nitrophenyl)-4-oxobut-2-enoate
Wiley ID 1771468