4-Benzyloxyaniline
- Formula: C13H13NO
- Molecular weight: 199.2484
- IUPAC Standard InChI: InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2
- IUPAC Standard InChIKey: FIIDVVUUWRJXLF-UHFFFAOYSA-N
- CAS Registry Number: 6373-46-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: p-Benzyloxyaniline; Benzenamine, 4-(phenylmethoxy)-; Aniline, p-(benzyloxy)-; 4-Aminophenyl benzyl ether
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.58 | CTS | Weschke, Timpe, et al., 1979 | LLK |
| 7.6 | EI | Ward, Cooks, et al., 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6NO+ | 9.7 | ? | EI | Ward, Cooks, et al., 1969 | RDSH |
| C7H7+ | 9.9 | ? | EI | Ward, Cooks, et al., 1969 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weschke, Timpe, et al., 1979
Weschke, W.; Timpe, H.-J.; Just, G.,
Untersuchungen an EDA-Komplexen von Benzylarylethern,
J. Prakt. Chem., 1979, 321, 605. [all data]
Ward, Cooks, et al., 1969
Ward, R.S.; Cooks, R.d.; Williams, D.H.,
Substituent effects in mass spectrometry. Mass spectra of substituted phenyl benzyl ethers,
J. Am. Chem. Soc., 1969, 91, 2727. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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