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2-(2-Cyanobenzyl)but-3-enoic acid
SpectraBase Compound ID 3MiJTsWA4WR
InChI InChI=1S/C12H11NO2/c1-2-9(12(14)15)7-10-5-3-4-6-11(10)8-13/h2-6,9H,1,7H2,(H,14,15)
InChIKey RGHXLIDPCLVSKZ-UHFFFAOYSA-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 3gwzQczeLWj
Name 2-(2-Cyanobenzyl)but-3-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO2
InChI InChI=1S/C12H11NO2/c1-2-9(12(14)15)7-10-5-3-4-6-11(10)8-13/h2-6,9H,1,7H2,(H,14,15)
InChIKey RGHXLIDPCLVSKZ-UHFFFAOYSA-N
Molecular Weight 201.225 g/mol
SMILES OC(C(Cc1c(C#N)cccc1)C=C)=O
SPLASH splash10-066r-0900000000-12196d891a0134781521
Source of Spectrum SO-0-278-16
Synonyms 2-[(2-cyanophenyl)methyl]-3-butenoic acid 2-[(2-cyanophenyl)methyl]but-3-enoic acid
Wiley ID 877335