Benzene, 1-ethoxy-3-nitro-
- Formula: C8H9NO3
- Molecular weight: 167.1620
- IUPAC Standard InChI: InChI=1S/C8H9NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: LFOLBPDHVGDKGJ-UHFFFAOYSA-N
- CAS Registry Number: 621-52-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Phenetole, m-nitro-; m-Nitrophenetole; 1-Ethoxy-3-nitrobenzene; 3-Nitrophenetole
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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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.11 ± 0.15 | EI | McLafferty and Schiff, 1969 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H5NO3+ | 10.91 ± 0.15 | C2H4 | EI | McLafferty and Schiff, 1969 |
IR Spectrum
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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 by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
| Source reference | COBLENTZ NO. 2901 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | ethyl 3-nitrophenyl ether 1-ethoxy-3-nitrobenzene |
| State | SOLID (MINERAL OIL MULL) |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY |
| Melting point | 31-32 C |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
McLafferty and Schiff, 1969
McLafferty, F.W.; Schiff, L.J.,
The structure of [YC6H5O]+ ions in the spectra of aryl alkyl ethers,
Org. Mass Spectrom., 1969, 2, 757. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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