- Formula: C6H3D9O2
- Molecular weight: 125.2137
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: OCWLYWIFNDCWRZ-OMLAQRBSSA-N
- Chemical structure:
This structure is also available as a 2d Mol file
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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
Kovats' RI, polar column, custom temperature program
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|Column type||Active phase||I||Reference||Comment|
|Capillary||Carbowax||1003.||Rowan, Lane, et al., 1996||30. m/0.25 mm/0.25 «mu»m; Program: 40C (10min) => 3C/min => 100C => 5C/min => 220C|
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Rowan, Lane, et al., 1996
Rowan, D.D.; Lane, H.P.; Allen, J.M.; Fielder, S.; Hunt, M.B., Biosynthesis of 2-methylbutyl, 2-methyl-2-butenyl, and 2-methylbutanoate esters in Red Delicious and Granny Smith apples using deuterium-labeled substrates, J. Agric. Food Chem., 1996, 44, 10, 3276-3285, https://doi.org/10.1021/jf9508209 . [all data]
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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