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2-[(2-cyanophenyl)methyl]-3-methyl-3-butenoic acid
SpectraBase Compound ID KpmJIpgP9Hf
InChI InChI=1S/C13H13NO2/c1-9(2)12(13(15)16)7-10-5-3-4-6-11(10)8-14/h3-6,12H,1,7H2,2H3,(H,15,16)
InChIKey HIDNFSXTKIQXOR-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 22Lw6ibCD8k
Name 2-[(2-cyanophenyl)methyl]-3-methyl-3-butenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-9(2)12(13(15)16)7-10-5-3-4-6-11(10)8-14/h3-6,12H,1,7H2,2H3,(H,15,16)
InChIKey HIDNFSXTKIQXOR-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES OC(C(Cc1c(C#N)cccc1)C(=C)C)=O
SPLASH splash10-00kb-6900000000-c8ecd02a0e0ef1da401c
Source of Spectrum SO-0-278-18
Synonyms 2-[(2-cyanophenyl)methyl]-3-methyl-but-3-enoic acid 2-[(2-cyanophenyl)methyl]-3-methylbut-3-enoic acid
Wiley ID 877333