| SpectraBase Spectrum ID |
AL5qLQnATqU |
| Name |
Aconitic acid, 3TMS |
| Comments |
Derivatization type: 3 TMS (mass: 390.135); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001083; Note: The molecular formula of the structure shown is C6H6O6 - which differs from the formula reported for the mass spectrum (C15H30O6Si3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H30O6Si3 |
| InChI |
InChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3/b12-10+ |
| InChIKey |
RHDPKJMZPKZKTA-ZRDIBKRKSA-N |
| Molecular Weight |
390.654 g/mol |
| SMILES |
C(\C(=C/C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C |
| SPLASH |
splash10-0002-1930000000-916822a2ecb6e80667f6 |
| Source of Spectrum |
FM-2019-1083-0 |
| Synonyms |
trans-Aconitic acid, 3TMS
trans-Aconitate, 3TMS
ACONITIC ACID, 3TMS
ACONITIC ACID, TRANS, 3TMS
SPECTRUM310001, 3TMS
W201006_ALDRICH, 3TMS
(E)-prop-1-ene-1,2,3-tricarboxylic acid, 3TMS
Tris(trimethylsilyl) (E)-prop-1-ene-1,2,3-tricarboxylate |
| Wiley ID |
1818741 |
