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4-(4-Nitro-phenyl)-4-oxo-but-2-enoic acid 3-phenyl-allyl ester
SpectraBase Compound ID Cj5QNTMEN8
InChI InChI=1S/C19H15NO5/c21-18(16-8-10-17(11-9-16)20(23)24)12-13-19(22)25-14-4-7-15-5-2-1-3-6-15/h1-13H,14H2/b7-4-,13-12+
InChIKey AKDOMWTURGGVQY-ZQDYKODVSA-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 3dvjdpoi1Ye
Name 4-(4-Nitro-phenyl)-4-oxo-but-2-enoic acid 3-phenyl-allyl ester
Alternate Name(s) (E)-(Z)-3-phenylallyl 4-(4-nitrophenyl)-4-oxobut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO5
InChI InChI=1S/C19H15NO5/c21-18(16-8-10-17(11-9-16)20(23)24)12-13-19(22)25-14-4-7-15-5-2-1-3-6-15/h1-13H,14H2/b7-4-,13-12+
InChIKey AKDOMWTURGGVQY-ZQDYKODVSA-N
Literature Reference DOI 10.1002/cmdc.200600284
Molecular Weight 337.331 g/mol
SMILES C(\C=C\C(c1ccc(cc1)[N+](=O)[O-])=O)(OC\C=C/c1ccccc1)=O
SPLASH splash10-067i-1910000000-521dc4e4b0f88b2a202c
Source of Spectrum CMC-2-441/SM5-8a
Wiley ID 1771467