1,3-Oxathiane, 2,4,6-trimethyl-, (2α,4α,6α)-
- Formula: C7H14OS
- Molecular weight: 146.250
- IUPAC Standard InChI: InChI=1S/C7H14OS/c1-5-4-6(2)9-7(3)8-5/h5-7H,4H2,1-3H3/t5-,6+,7-/m1/s1
- IUPAC Standard InChIKey: DUDZTWRICXYHEJ-DSYKOEDSSA-N
- CAS Registry Number: 22521-88-6
- 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. - Stereoisomers:
- Other names: 1,3-Oxathiane, 2,4,6-trimethyl-, cis,cis-; 2,4,6-Trimethyl-1,3-oxathiane, (Z,Z)-
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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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.55 | EI | Jalonen, Pasanen, et al., 1973 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H11OS+ | 8.54 ± 0.01 | CH3 | EI | Jalonen, Pasanen, et al., 1973 |
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.
Jalonen, Pasanen, et al., 1973
Jalonen, J.; Pasanen, P.; Pihlaja, K.,
Ionisation and appearance potentials in the evaluation of nonbonded interactions. IV: Conformational effects in methyl-substituted 1,3-oxathianes,
Org. Mass Spectrom., 1973, 7, 949. [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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