3-(Acetylthio)-2-propylheptanal
- Formula: C12H22O2S
- Molecular weight: 230.367
- IUPAC Standard InChI: InChI=1S/C12H22O2S/c1-4-6-8-12(15-10(3)14)11(9-13)7-5-2/h9,11-12H,4-8H2,1-3H3
- IUPAC Standard InChIKey: LQLZAAWYPGNZTR-UHFFFAOYSA-N
- Chemical structure:
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Normal alkane RI, 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 | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.2 |
| Program | 60C(0.5min => 70C/min => 60C => 4C/min => 240C | 60C(0.5min => 70C/min => 60C => 4C/min => 240C |
| I | 2087. | 2074. |
| Reference | Robert, Héritier, et al., 2004 | Robert, Héritier, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Robert, Héritier, et al., 2004
Robert, F.; Héritier, J.; Quiquerez, J.; Simian, H.; Blank, I.,
Synthesis and sensorial properties of 2-alkylalk-2-enals and 3-(acetylthio)-2-alkyl alkanals,
J. Agric. Food Chem., 2004, 52, 11, 3525-3529, https://doi.org/10.1021/jf0498968
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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