3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
- Formula: C12H16N2O
- Molecular weight: 204.2682
- IUPAC Standard InChI: InChI=1S/C12H16N2O/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12/h1-8H2
- IUPAC Standard InChIKey: SPMNQNOXHNXYSJ-UHFFFAOYSA-N
- 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: 1,2,3,5,6,7,8,9-Octahydro-4,9a-diaza-cyclohepta[f]inden-10-one
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- Other data available:
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Kovats' RI, non-polar column, isothermal
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Packed | Packed |
|---|---|---|
| Active phase | OV-1 | OV-1 |
| Column length (m) | 1.8 | 1.8 |
| Carrier gas | N2 | N2 |
| Substrate | Chromosorb W AW DMCS | Gas Chrom Q (100-120 mesh) |
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Temperature (C) | 240. | 240. |
| I | 2003. | 2003. |
| Reference | Papp, Szász, et al., 1991 | Papp, Józan, et al., 1987 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Papp, Szász, et al., 1991
Papp, O.; Szász, Gy.; Kökösi, J.; Hermecz, I.,
Correlation between structure and gas chromatographic behaviour of nitrogen-containing heterocyclic compounds. III. Variation of ring size,
J. Chromatogr., 1991, 537, 377-383, https://doi.org/10.1016/S0021-9673(01)88911-1
. [all data]
Papp, Józan, et al., 1987
Papp, O.; Józan, M.; Szász, Gy.; Hermecz, I.,
Correlation Between Molar Refraction and Gas Chromatographic Retention Data,
J. Chromatogr., 1987, 403, 11-18, https://doi.org/10.1016/S0021-9673(00)96336-2
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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