p-isothiocyanatobenzoic acid, ethyl ester
Compound with spectra: 5 NMR, 2 FTIR, and 1 MS (GC)
| 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 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Maybridge Chemical Company Ltd., North Cornwall, England |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | E. Vinkler, Medical University of Szeged, Szeged, Hungary |
| Technique | CAPILLARY CELL: MELT |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JX-2015-5-868 |
- 4-ETHOXYCARBONYLPHENYLISOTHIOCYANAT
- MLOJHUCMCKBDLV-UHFFFAOYSA-N
- BENZOIC ACID, P-ISOTHIOCYANATO-, ETHYL ESTER
- Benzoic acid, 4-isothiocyanato-, ethyl ester
- 4-Isothiocyanato-benzoic acid, ethyl ester
CFEPCPHKICBCJV-UHFFFAOYSA-N
p-nitrosobenzoic acid, ethyl ester
Methyl 4-isocyanatobenzoate
Ethyl 4-Isocyanobenzoate
Ethyl 4-(methylamino)benzoate
ethyl 4-(hydroxyamino)benzoate
4-Ethoxycarbonylphenylhydrazine hydrochloride
ACETONE, PARA-METHOXYCARBONYLPHENYLIMINE
Benzoic acid, p-[[(dimethylamino)methylene]amino]-, methyl ester
1,4-butanediol, bis(4-aminobenzoate)
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of a series ofpara-substituted phenyl isothiocyanates. Linear free energy relationships for carbon-13 substituent chemical shifts | Organic Magnetic Resonance | 1982 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.