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2-(cyanomethyl)-4,5-(methylenedioxy)hydrocinnamic acid

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2-(cyanomethyl)-4,5-(methylenedioxy)hydrocinnamic acid
SpectraBase Compound ID KT1A6JIat0d
InChI InChI=1S/C12H11NO4/c13-4-3-9-6-11-10(16-7-17-11)5-8(9)1-2-12(14)15/h5-6H,1-3,7H2,(H,14,15)
InChIKey TUYXRDBWDBTZLP-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBjaxRyK3MS
Name 2-(cyanomethyl)-4,5-(methylenedioxy)hydrocinnamic acid
Source of Sample R. Dran & T. Prange, Laboratorie De Chimie Organique Ii, Paris, France
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Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c13-4-3-9-6-11-10(16-7-17-11)5-8(9)1-2-12(14)15/h5-6H,1-3,7H2,(H,14,15)
InChIKey TUYXRDBWDBTZLP-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference Abstract-Chemical Abstracts= 69, 18804(1968)
Sadtler NMR Number 7740M
Solvent DMSO-d6
Synonyms PROPIONIC ACID, 3-/2-/CYANOMETHYL/- 4,5-/METHYLENEDIOXY/PHENYL/-, HYDROCINNAMIC ACID, 2-/CYANO- METHYL/-4,5-/METHYLENEDIOXY/-,