Methyl salicylate, Rut, TFA
- Formula: C32H22F18O18
- Molecular weight: 1036.4775
- IUPAC Standard InChI: InChI=1S/C32H22F18O18/c1-8-12(63-21(52)27(33,34)35)14(65-23(54)29(39,40)41)16(67-25(56)31(45,46)47)19(60-8)59-7-11-13(64-22(53)28(36,37)38)15(66-24(55)30(42,43)44)17(68-26(57)32(48,49)50)20(62-11)61-10-6-4-3-5-9(10)18(51)58-2/h3-6,8,11-17,19-20H,7H2,1-2H3/t8-,11?,12-,13+,14+,15-,16+,17-,19+,20+/m1/s1
- IUPAC Standard InChIKey: GRVDKAYNFVDHBS-UNENLGJYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 2224. | Chassagne, Crouzet, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C |
| Capillary | DB-5MS | 2234. | Chassagne, Crouzet, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 125C => 3C/min => 220C => 2C/min => 280C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chassagne, Crouzet, et al., 1998
Chassagne, D.; Crouzet, J.; Bayonove, C.L.; Baumes, R.L.,
Identification of passion fruit glycosides by gas chromatography/mass spectrometry,
J. Agric. Food Chem., 1998, 46, 10, 4352-4357, https://doi.org/10.1021/jf980416k
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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