(3aR,4R,7R)-1,4,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-3a,7-methanoazulen-2-one
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChI: InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
- IUPAC Standard InChIKey: GIGKXOAUYMWORB-CCUNJIBTSA-N
- CAS Registry Number: 3466-15-7
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aR,4R,7R)-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aR-(3aα,4β,7α)]-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7α,8-tetrahydro-1,4α,9,9-tetramethyl-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7α,8-tetrahydro-1,4α,9,9-tetramethyl-, (+)-; (+)-Cyperotundone; Cyperenone; Cyperotundone; Isopatchoulenone
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Normal alkane RI, non-polar column, custom temperature program
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | not specified | not specified |
| I | 1680. | 1694. |
| Reference | Feizbakhsh and Naeemy, 2011 | Feizbakhsh and Naeemy, 2011 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A.,
Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran,
Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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