4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-,(4α,4aα,8aβ)-
- Formula: C12H22O
- Molecular weight: 182.3025
- IUPAC Standard InChI: InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
- IUPAC Standard InChIKey: JLPUXFOGCDVKGO-GRYCIOLGSA-N
- CAS Registry Number: 19700-21-1
- 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: 4a(2H)-Naphthalenol, octahydro-4,8a-dimethyl-, [4S-(4α,4aα,8aβ)]-; Geosmin; 4a-α-(2H)-Naphthol, octahydro-4-α,8a-β-dimethyl-; (-)-Geosmin; [4S-(4α,4aα,8aβ)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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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 |
|---|---|
| Active phase | BPX-5 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.22 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 300. |
| Heat rate (K/min) | 5. |
| Initial hold (min) | 5. |
| Final hold (min) | |
| I | 1430. |
| Reference | Dickschat, Wenzel, et al., 2004 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S.,
Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus,
ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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