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2-[(2-cyanophenyl)methyl]-2-methyl-3-butenoic acid
SpectraBase Compound ID 5S8ixrFUToB
InChI InChI=1S/C13H13NO2/c1-3-13(2,12(15)16)8-10-6-4-5-7-11(10)9-14/h3-7H,1,8H2,2H3,(H,15,16)
InChIKey YJGQPDANTPKCST-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aPqAvvYUtp
Name 2-[(2-cyanophenyl)methyl]-2-methyl-3-butenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-3-13(2,12(15)16)8-10-6-4-5-7-11(10)9-14/h3-7H,1,8H2,2H3,(H,15,16)
InChIKey YJGQPDANTPKCST-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES OC(C(Cc1c(C#N)cccc1)(C=C)C)=O
SPLASH splash10-014i-0900000000-cb2475d283b673eb4cef
Source of Spectrum SO-0-278-17
Synonyms 2-[(2-cyanophenyl)methyl]-2-methyl-but-3-enoic acid 2-[(2-cyanophenyl)methyl]-2-methylbut-3-enoic acid
Wiley ID 877334