| SpectraBase Spectrum ID |
3xoHCr9Tog5 |
| Name |
threo-3-isopropylmalate, 3TMS |
| Alternate Name(s) |
3-isopropylmalate, 3TMS
3-isopropylmalic acid, 3TMS
(2R,3S)-3-Isopropylmalate, 3TMS
CHEBI:43468, 3TMS
EXPT01919, 3TMS
(2R,3S)-3-isopropylmalic acid, 3TMS
(2R,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid, 3TMS
bis(trimethylsilyl) (2S,3R)-2-isopropyl-3-((trimethylsilyl)oxy)succinate |
| Comments |
Derivatization type: 3 TMS (mass: 392.187); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001049; Note: The molecular formula of the structure shown is C7H12O5 - which differs from the formula reported for the mass spectrum (C16H36O5Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H36O5Si3 |
| InChI |
InChI=1S/C16H36O5Si3/c1-12(2)13(15(17)20-23(6,7)8)14(19-22(3,4)5)16(18)21-24(9,10)11/h12-14H,1-11H3/t13-,14+/m0/s1 |
| InChIKey |
KRQUUQKHWFZWEU-UONOGXRCSA-N |
| Molecular Weight |
392.714 g/mol |
| SMILES |
CC(C)[C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(C(=O)O[Si](C)(C)C)[H] |
| SPLASH |
splash10-0002-0920000000-0f09e455c8fdf5b3973f |
| Source of Spectrum |
FM-2019-1049-0 |
| Wiley ID |
1818708 |
