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(E)-5-(2-Cyanophenyl)pent-2-enoic acid
SpectraBase Compound ID LHiF5qATE0I
InChI InChI=1S/C12H11NO2/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-2,4-5,7-8H,3,6H2,(H,14,15)/b8-4+
InChIKey RWQOOIMZDPUKQY-XBXARRHUSA-N
Mol Weight 201.22 g/mol
Molecular Formula C12H11NO2
Exact Mass 201.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtWbZVuhZB1
Name (E)-5-(2-Cyanophenyl)pent-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO2
InChI InChI=1S/C12H11NO2/c13-9-11-7-2-1-5-10(11)6-3-4-8-12(14)15/h1-2,4-5,7-8H,3,6H2,(H,14,15)/b8-4+
InChIKey RWQOOIMZDPUKQY-XBXARRHUSA-N
Molecular Weight 201.225 g/mol
SMILES OC(\C=C\CCc1c(C#N)cccc1)=O
SPLASH splash10-0159-0900000000-ba1f8ce9d3e609ae07ba
Source of Spectrum SO-0-278-19
Synonyms (2E)-5-(2-cyanophenyl)-2-pentenoic acid
Wiley ID 877332