| SpectraBase Spectrum ID |
HZhp7CZEAjO |
| Name |
isocitric acid, 4TMS |
| Alternate Name(s) |
1grp, 4TMS
D-threo-Isocitric acid, 4TMS
CHEBI:151, 4TMS
EXPT01834, 4TMS
3-carboxy-2,3-dideoxy-L-threo-pentaric acid, 4TMS
C00451, 4TMS
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid, 4TMS
Tris(trimethylsilyl) (1R,2S)-1-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate |
| Comments |
Derivatization type: 4 TMS (mass: 480.185); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000506; Note: The molecular formula of the structure shown is C6H8O7 - which differs from the formula reported for the mass spectrum (C18H40O7Si4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H40O7Si4 |
| InChI |
InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3/t14-,16+/m0/s1 |
| InChIKey |
QMCRZQSRNUSJRR-GOEBONIOSA-N |
| Molecular Weight |
480.851 g/mol |
| SMILES |
C([C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(C(=O)O[Si](C)(C)C)[H])C(=O)O[Si](C)(C)C |
| SPLASH |
splash10-0002-0952000000-b4d5f7cd1a9364c849bc |
| Source of Spectrum |
FM-2019-506-0 |
| Wiley ID |
1818190 |
