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4-METHOXYCARBONYLPHENYLISOTHIOCYANAT

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4-METHOXYCARBONYLPHENYLISOTHIOCYANAT
SpectraBase Compound ID 6ElNI7xLvu
InChI InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
InChIKey WIZODHILGBTPPA-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MyEPHpG3se
Name p-ISOTHIOCYANATOBENZOIC ACID, METHYL ESTER
Source of Sample R. G. Jones, G. Allen Org. Magn. Resonance 19, 196 (1982)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
InChIKey WIZODHILGBTPPA-UHFFFAOYSA-N
Molecular Weight 193.23
Solvent Chloroform-d; Reference=TMS; Temperature=306 K Spectrometer= Jeol FX-60
Synonyms BENZOIC ACID, P-ISOTHIOCYANATO-, METHYL ESTER