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p-isothiocyanatobenzoic acid, ethyl ester

View entire compound with spectra: 5 NMR, 2 FTIR, and 1 MS (GC)

p-isothiocyanatobenzoic acid, ethyl ester
SpectraBase Compound ID 5JhB2rQwHw7
InChI InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChIKey MLOJHUCMCKBDLV-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C10H9NO2S
Exact Mass 207.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKjRRCO4YLE
Name p-ISOTHIOCYANATOBENZOIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2S
InChI InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChIKey MLOJHUCMCKBDLV-UHFFFAOYSA-N
Melting Point 56-58C
Molecular Weight 207.25
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-ISOTHIOCYANATO-, ETHYL ESTER