4-Acetylphenyl isothiocyanate
Compound with spectra: 4 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | Ck49CDet6XY |
|---|---|
| InChI | InChI=1S/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3 |
| InChIKey | KAKXOESNHIUYJT-UHFFFAOYSA-N |
| Mol Weight | 177.22 g/mol |
| Molecular Formula | C9H7NOS |
| Exact Mass | 177.024835 g/mol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | R. G. Jones, G. Allen Org. Magn. Resonance 19, 196 (1982) |
| Solvent | Chloroform-d; Reference=TMS; Temperature=306 K Spectrometer= Jeol FX-60 |
| 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 © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L11927 |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L11927 |
| Technique | KBr0 |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | L11927 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BJO-8-SM20-20-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CN109608295A |
- 4'-Isothiocyanatoacetophenone
- KAKXOESNHIUYJT-UHFFFAOYSA-N
- 4-ACETOPHENYLISOTHIOCYANAT
- ISOTHIOCYANIC ACID, p-ACETYLPHENYL ESTER
- ACETOPHENONE, 4'-ISOTHIOCYANATO-,
- 4-Acethyl-phenylisothiocyanate
- 1-(4-isothiocyanophenyl)ethane-1-one
| 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
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
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KnowItAll Mass Spectral Library
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Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.