4-(Hydroxymethyl)benzonitrile
Compound with spectra: 6 NMR, 2 FTIR, 1 Raman, and 6 MS (GC)
| SpectraBase Compound ID | HADwcyfmjHi |
|---|---|
| InChI | InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2 |
| InChIKey | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| Mol Weight | 133.15 g/mol |
| Molecular Formula | C8H7NO |
| Exact Mass | 133.052764 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | U1-2011-5295-31 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | ASC-345-1350-1350_2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | ACI-61-SM17-7 (DOI: 10.1002/anie.202207557) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AJO-12-SM8-Figure S3-6 (DOI: 10.1002/ajoc.202200626) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | TOLUENE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Acetone |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Acetone |
| Copyright | Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 454650010 |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Acros Organics |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 454650010 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 527750 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- 4-(Hydroxymethyl)-benzonitril, 4-cyanobenzylalcohol
- 4-HYDROXYMETHYLBENZENENITRILE
- 4-Cyanobenzyl alcohol
- BENZONITRILE, 4-(HYDROXYMETHYL)-
| Title | Journal or Book | Year |
|---|---|---|
| Improved13C NMR Shift Prediction Program for Polysubstituted Benzenes and Sterically Defined Cyclohexane Derivatives | Magnetic Resonance in Chemistry | 1996 |
| 17O NMR spectroscopy: unusual substituent effects in -substituted benzyl alcohols and acetates | Tetrahedron Letters | 1984 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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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.