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2-cyanato-m-toluic acid, methyl ester
SpectraBase Compound ID ArouyKGyKPo
InChI InChI=1S/C10H9NO3/c1-7-4-3-5-8(10(12)13-2)9(7)14-6-11/h3-5H,1-2H3
InChIKey JFLITXBPKDRVPL-UHFFFAOYSA-N
Mol Weight 191.19 g/mol
Molecular Formula C10H9NO3
Exact Mass 191.058243 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJWPEyFS9D0
Name 2-cyanato-m-toluic acid, methyl ester
Source of Sample M. Sekiya, Shizuoka College of Pharmacy, Shizuoka, Japan
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Formula C10H9NO3
InChI InChI=1S/C10H9NO3/c1-7-4-3-5-8(10(12)13-2)9(7)14-6-11/h3-5H,1-2H3
InChIKey JFLITXBPKDRVPL-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference Abstract-Chemical Abstracts= 64, 6549(1966)
Sadtler NMR Number 1007M
Solvent CDCl3
Synonyms SALICYLIC ACID, 5-/CYANOMETHYL/-, METHYL ESTER 2,5-CRESOTIC ACID, A-CYANO-, METHYL ESTER