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2-Octenoic acid, 7-oxo-5-phenyl-, ethyl ester(E)-
SpectraBase Compound ID JiUiZGzDvcr
InChI InChI=1S/C16H20O3/c1-3-19-16(18)11-7-10-15(12-13(2)17)14-8-5-4-6-9-14/h4-9,11,15H,3,10,12H2,1-2H3/b11-7+
InChIKey AVUVFBXSVRMIQH-YRNVUSSQSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hw1T4IPmIDh
Name 2-Octenoic acid, 7-oxo-5-phenyl-, ethyl ester(E)-
Alternate Name(s) Ethyl (2E)-7-oxo-5-phenyl-2-octenoate
CAS Registry Number 98269-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-3-19-16(18)11-7-10-15(12-13(2)17)14-8-5-4-6-9-14/h4-9,11,15H,3,10,12H2,1-2H3/b11-7+
InChIKey AVUVFBXSVRMIQH-YRNVUSSQSA-N
Molecular Weight 260.333 g/mol
SMILES C(\C=C\CC(CC(=O)C)c1ccccc1)(=O)OCC
SPLASH splash10-004j-2900000000-a296ca648928426f781a
Source of Spectrum J-50-4305-5
Wiley ID 1264022